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Benzene, 1-fluoro-3-[(1E)-2-methoxyethenyl]- (9CI) Molecular Structure

Benzene, 1-fluoro-3-[(1E)-2-methoxyethenyl]- (9CI) Molecular Structure

Benzene, 1-fluoro-3-[(1E)-2-methoxyethenyl]- (9CI)

: IUPACName：1-fluoro-3-(2-methoxyethenyl)benzene; CAS Registry Number: 438585-93-4; Molekulargewicht：152.1655632

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1. Namen und Bezeichner

: 1.1 Produktname; Benzene, 1-fluoro-3-[(1E)-2-methoxyethenyl]- (9CI); 1.2 Synonyme; Benzene, 1-fluoro-3-[(1E)-2-methoxyethenyl]- (9CI)

1.3 CAS Registry Number: 438585-93-4

1.4 CID: 22125683

1.5 Summenformel: C9H9FO (isomer)

1.6 Inchi: InChI=1S/C9H9FO/c1-11-6-5-8-3-2-4-9(10)7-8/h2-7H,1H3/b6-5+

1.7 InchiKey: HFXQDGRBGIEYNE-AATRIKPKSA-N

1.8 Kanonisch SMILES: COC=CC1=CC(=CC=C1)F

1.9 Isomere SMILES: CO/C=C/C1=CC(=CC=C1)F

2. Eigenschaften

2.1 PSA: 9.23000

2.2 logP: 2.44280

3. SDB-Informationen

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

4. Computerchemische Daten

Masse moléculaire: 152.1655632g/mol
Summenformel: C₉H₉FO
Compound Is Canonicalized: True
XLogP3-AA: 2.4
Exact Mass: 152.063743068
Monoisotopic Mass: 152.063743068
Complexity: 134
Rotatable Bond Count: 2
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 9.2
Heavy Atom Count: 11
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 1
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBwIQAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGwAAAAAADACgmAoyAIAABACAAiBCAAACCAAgIAAIiAAAAIgIICKAERCAIAAggAAIiAcAgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

6. Realisierte Produktinformationen

(1-METHOXYVINYL)TRIMETHYLSILANE

79678-01-6 (1-METHOXYVINYL)TRIMETHYLSILANE

(E)-3-(2-Methoxyvinyl)benzonitrile

956526-81-1 (E)-3-(2-Methoxyvinyl)benzonitrile

2-Picoline,5-(2-methoxyvinyl)-(6CI)

102878-29-5 2-Picoline,5-(2-methoxyvinyl)-(6CI)

1-FLUORO-4-(TRIFLUOROMETHYLTHIO)BENZENE

940-76-1 1-FLUORO-4-(TRIFLUOROMETHYLTHIO)BENZENE

1,2-DIBROMO-3-FLUORO-BENZENE

811711-33-8 1,2-DIBROMO-3-FLUORO-BENZENE

Benzene,1-ethoxy-2-fluoro-

451-80-9 Benzene,1-ethoxy-2-fluoro-

1-Fluoro-4-(pyrrolidinosulfonyl)benzene

157187-14-9 1-Fluoro-4-(pyrrolidinosulfonyl)benzene

Kürzlich aktualisiert : 1566708-15-3 2632308-14-4 2747918-45-0 2637370-86-4 1566326-43-9 1566722-26-6 1565025-23-1 1564889-53-7 1566621-11-1 1566247-71-9

Verzeichnis

1. Namen und Bezeichner

: 1.1 Produktname; 1.2 Synonyme; 1.3 CAS Registry Number; 1.4 CID; 1.5 Summenformel; 1.6 Inchi; 1.7 InchiKey; 1.8 Kanonisch SMILES; 1.9 Isomere SMILES

2. Eigenschaften

: 2.1 PSA; 2.2 logP

3.SDB-Informationen

4.Computerchemische Daten