3-(4-Fluoro-3-nitrophenyl)propionic Acid - CAS 160877-40-7
Catalog: |
BB011676 |
Product Name: |
3-(4-Fluoro-3-nitrophenyl)propionic Acid |
CAS: |
160877-40-7 |
Synonyms: |
3-(4-fluoro-3-nitrophenyl)propanoic acid; 3-(4-fluoro-3-nitrophenyl)propanoic acid |
IUPAC Name: | 3-(4-fluoro-3-nitrophenyl)propanoic acid |
Description: | 3-(4-Fluoro-3-nitrophenyl)propionic Acid (CAS# 160877-40-7 ) is a useful research chemical. |
Molecular Weight: | 213.16 |
Molecular Formula: | C9H8FNO4 |
Canonical SMILES: | C1=CC(=C(C=C1CCC(=O)O)[N+](=O)[O-])F |
InChI: | InChI=1S/C9H8FNO4/c10-7-3-1-6(2-4-9(12)13)5-8(7)11(14)15/h1,3,5H,2,4H2,(H,12,13) |
InChI Key: | IHRNYARREWSFGQ-UHFFFAOYSA-N |
LogP: | 2.27430 |
Publication Number | Title | Priority Date |
AU-2016299329-A1 | Method for preparing substituted 3-(2-anilino-1-cyclohexyl-1H-benzimidazol-5-yl)propanoic acid derivatives | 20150727 |
CA-2993480-A1 | Method for preparing substituted 3-(2-anilino-1-cyclohexyl-1h-benzimidazol-5-yl)propanoic acid derivatives | 20150727 |
EP-3328838-A1 | Method for preparing substituted 3-(2-anilino-1-cyclohexyl-1h-benzimidazol-5-yl)propanoic acid derivatives | 20150727 |
JP-2018527328-A | Process for preparing substituted 3- (3-anilino-1-cyclohexyl-1H-benzimidazol-5-yl) propanoic acid derivatives | 20150727 |
KR-20180030906-A | Preparation of substituted 3- (2-anilino-1-cyclohexyl-1H-benzimidazol-5-yl) propanoic acid derivative | 20150727 |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.0437359 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.0437359 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 83.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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