Urea,N-[3-[5-(4-fluorophenoxy)-2-furanyl]-1-methyl-2-propyn-1-yl]-N-hydroxy-
- Iupac Name:1-[4-[5-(4-fluorophenoxy)furan-2-yl]but-3-yn-2-yl]-1-hydroxyurea
- CAS No.: 141579-67-1
- Molecular Weight:304.277
- Modify Date.: 2022-11-22 22:16
1. Names and Identifiers
- 1.1 Name
- Urea,N-[3-[5-(4-fluorophenoxy)-2-furanyl]-1-methyl-2-propyn-1-yl]-N-hydroxy-
- 1.2 Synonyms
(r)-(+)-n-{3-[5-(4-fluorophenoxy)furan-2-yl]-1-methylprop-2-ynyl}-n-hydroxyurea 1-[4-[5-(4-fluorophenoxy)furan-2-yl]but-3-yn-2-yl]-1-hydroxyurea 1-{4-[5-(4-fluorophenoxy)furan-2-yl]but-3-yn-2-yl}-1-hydroxyurea A 78773 A78773 AC1Q5JDN bdbm50029775 D0X9KE HE310311 N-[3-[5-(4-Fluorophenoxy)-2-furanyl]-1-methyl-2-propyn-1-yl]-N-hydroxyurea n-{3-[5-(4-fluorophenoxy)-2-furyl]-1-methylprop-2-ynyl}-n-hydroxyurea n-{3-[5-(4-fluorophenoxy)furan-2-yl]-1-methylprop-2-ynyl}-n-hydroxyurea OPREA1_560784 Urea, N-[3-[5-(4-fluorophenoxy)-2-furanyl]-1-methyl-2-propyn-1-yl]-N-hydroxy- Urea, N-[3-[5-(4-fluorophenoxy)-2-furanyl]-1-methyl-2-propynyl]-N-hydroxy- Urea,N-[3-[5-(4-fluorophenoxy)-2-furanyl]-1-methyl-2-propynyl]-N-hydroxy- (9CI)
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- 1.3 CAS No.
- 141579-67-1
- 1.4 CID
- 71460
- 1.5 Molecular Formula
- C15H13FN2O4 (isomer)
- 1.6 Inchi
- InChI=1S/C15H13FN2O4/c1-10(18(20)15(17)19)2-5-12-8-9-14(21-12)22-13-6-3-11(16)4-7-13/h3-4,6-10,20H,1H3,(H2,17,19)
- 1.7 InChIkey
- OLZHFFKRBCZHHT-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- CC(C#CC1=CC=C(O1)OC2=CC=C(C=C2)F)N(C(=O)N)O
- 1.9 Isomers Smiles
- CC(C#CC1=CC=C(O1)OC2=CC=C(C=C2)F)N(C(=O)N)O
2. Properties
- 2.1 Density
- 1.42
- 2.1 Boiling point
- 472.9°Cat760mmHg
- 2.1 Refractive index
- 1.631
- 2.1 Flash Point
- 239.8°C
- 2.1 PSA
- 89.92000
- 2.1 logP
- 3.23470
3. MSDS
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. Other Information
- 4.0 Mesh Entry Terms
- A 78773
5. Computational chemical data
- Molecular Weight: 304.277g/mol
- Molecular Formula: C15H13FN2O4
- Compound Is Canonicalized: True
- XLogP3-AA: 2
- Exact Mass: 304.08593506
- Monoisotopic Mass: 304.08593506
- Complexity: 453
- Rotatable Bond Count: 4
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Topological Polar Surface Area: 88.9
- Heavy Atom Count: 22
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBzOQAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHwAUCAAACCzBkAwzDoJQBEDIEKDSGAgCCAAkIAAoiAEOCMicJjKENRqiOyCkxhMMqYfKQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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7. Realated Product Infomation