2-(2,6-Difluoro-4-nitrophenyl)propanoic Acid - CAS 1226776-82-4
Catalog: |
BB005443 |
Product Name: |
2-(2,6-Difluoro-4-nitrophenyl)propanoic Acid |
CAS: |
1226776-82-4 |
Synonyms: |
2-(2,6-difluoro-4-nitrophenyl)propanoic acid; 2-(2,6-difluoro-4-nitrophenyl)propanoic acid |
IUPAC Name: | 2-(2,6-difluoro-4-nitrophenyl)propanoic acid |
Description: | 2-(2,6-Difluoro-4-nitrophenyl)propanoic Acid (CAS# 1226776-82-4 ) is a useful research chemical. |
Molecular Weight: | 231.15 |
Molecular Formula: | C9H7F2NO4 |
Canonical SMILES: | CC(C1=C(C=C(C=C1F)[N+](=O)[O-])F)C(=O)O |
InChI: | InChI=1S/C9H7F2NO4/c1-4(9(13)14)8-6(10)2-5(12(15)16)3-7(8)11/h2-4H,1H3,(H,13,14) |
InChI Key: | BLZPGURBRHOGGM-UHFFFAOYSA-N |
LogP: | 2.58430 |
Publication Number | Title | Priority Date |
EP-2799424-A1 | 2-fluorophenylpropionic acid derivative | 20111227 |
EP-2799424-B1 | 2-fluorophenylpropionic acid derivative | 20111227 |
JP-2013133323-A | 2-Fluorophenylpropionic acid derivative | 20111227 |
JP-5770621-B2 | 2-Fluorophenylpropionic acid derivative | 20111227 |
US-2014330026-A1 | 2-fluorophenyl propionic acid derivatives | 20111227 |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.03431403 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.03431403 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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