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1,3-Dicloro-2-fluoro-5-yodobenceno Estructura molecular

1,3-Dicloro-2-fluoro-5-yodobenceno Estructura molecular

1,3-Dicloro-2-fluoro-5-yodobenceno

: IUPAC Nombre：1,3-dichloro-2-fluoro-5-iodobenzene; CAS Registry Number: 133307-08-1; Peso molecular：290.885

1. Nombres y Identificadores

: 1.1 Nombre del producto; 1,3-Dicloro-2-fluoro-5-yodobenceno; 1.2 Sinónimos; 1,3-Dichloro-2-fluoro-5-iodobenzene5-Iodo-1,3-dichloro-2-fluorobenzene

1.3 CAS Registry Number: 133307-08-1

1.4 CID: 19821778

1.5 Fórmula molecular: C6H2Cl2FI (isomer)

1.6 Inchi: InChI=1S/C6H2Cl2FI/c7-4-1-3(10)2-5(8)6(4)9/h1-2H

1.7 InchiKey: UCQPKKMSAOKIEA-UHFFFAOYSA-N

1.8 Canónico SMILES: C1=C(C=C(C(=C1Cl)F)Cl)I

1.9 Isómero SMILES: C1=C(C=C(C(=C1Cl)F)Cl)I

2. Propiedades

2.1 Densidad: 2.083±0.06 g/cm3(Predicted)

2.2 Punto de Hierro: 261.3±35.0 °C(Predicted)

2.3 Índice refractivo: 1.618

2.4 Punto de Flash: 111.8±25.9 °C

2.5 PSA: 0

2.6 logP: 3.74

2.7 Solubilidad: Insuluble (8.4E-4 g/L) (25 oC),

3. Datos químicos computacionales

Peso molecular: 290.885g/mol
Fórmula molecular: C₆H₂Cl₂FI
Compound Is Canonicalized: True
XLogP3-AA: 3.9
Exact Mass: 289.85623
Monoisotopic Mass: 289.85623
Complexity: 110
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Topological Polar Surface Area: 0
Heavy Atom Count: 10
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcQBgAQAGAgAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGQIgAAAACAKCECgwAIAAAACAACBCAAACAAAgBQAAiAAAAogIICKBExCAIAAggAAIiAcAAAAAAAAAAACAAAAAAAAAAQAAAAAAAAAAAA==

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1,3-Dichloro-2-fluoro-5-iodobenzene

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2024/05/22

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1,3-Dichloro-2-fluoro-5-iodobenzene

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/11/25

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5. información real del producto

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Directorio

1. Nombres y Identificadores

: 1.1 Nombre del producto; 1.2 Sinónimos; 1.3 CAS Registry Number; 1.4 CID; 1.5 Fórmula molecular; 1.6 Inchi; 1.7 InchiKey; 1.8 Canónico SMILES; 1.9 Isómero SMILES

2. Propiedades

: 2.1 Densidad; 2.2 Punto de Hierro; 2.3 Índice refractivo; 2.4 Punto de Flash; 2.5 PSA; 2.6 logP; 2.7 Solubilidad

3.Datos químicos computacionales

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