2-[2-(Trifluoromethyl)phenyl]cyclopropanecarboxylic Acid - CAS 1187933-13-6
Catalog: |
BB004286 |
Product Name: |
2-[2-(Trifluoromethyl)phenyl]cyclopropanecarboxylic Acid |
CAS: |
1187933-13-6 |
Synonyms: |
2-[2-(trifluoromethyl)phenyl]-1-cyclopropanecarboxylic acid; 2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid |
IUPAC Name: | 2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid |
Description: | 2-[2-(Trifluoromethyl)phenyl]cyclopropanecarboxylic Acid (CAS# 1187933-13-6) is a useful research chemical. |
Molecular Weight: | 230.18 |
Molecular Formula: | C11H9F3O2 |
Canonical SMILES: | C1C(C1C(=O)O)C2=CC=CC=C2C(F)(F)F |
InChI: | InChI=1S/C11H9F3O2/c12-11(13,14)9-4-2-1-3-6(9)7-5-8(7)10(15)16/h1-4,7-8H,5H2,(H,15,16) |
InChI Key: | SHCKKENSUDTLMS-UHFFFAOYSA-N |
LogP: | 2.89350 |
Publication Number | Title | Priority Date |
EP-2794563-B1 | Heterocyclyl derivatives and their use as prostaglandin d2 receptor modulators | 20111221 |
CN-103702984-A | N-(benzimimdazol-2-yl)-cyclopropane carboxamides as lysophosphatidic acid antagonists | 20110808 |
CN-103702984-B | As N-(benzimidazolyl-2 radicals-yl)-cyclopropane carboxamide class of lysophosphatide acid antagonist | 20110808 |
EP-2742029-B1 | N-(benzimimdazol-2-yl)-cyclopropane carboxamides as lysophosphatidic acid antagonists | 20110808 |
US-2014228378-A1 | N-(Benzimimdazol-2-yl)-Cyclopropane Carboxamides as Lysophosphatidic Acid Antagonists | 20110808 |
Complexity: | 287 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.05546401 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.05546401 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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