1-(4-Bromo-2-fluorophenyl)cyclopropanecarboxylic Acid - CAS 872422-15-6
Catalog: |
BB038354 |
Product Name: |
1-(4-Bromo-2-fluorophenyl)cyclopropanecarboxylic Acid |
CAS: |
872422-15-6 |
Synonyms: |
1-(4-bromo-2-fluorophenyl)-1-cyclopropanecarboxylic acid; 1-(4-bromo-2-fluorophenyl)cyclopropane-1-carboxylic acid |
IUPAC Name: | 1-(4-bromo-2-fluorophenyl)cyclopropane-1-carboxylic acid |
Description: | 1-(4-Bromo-2-fluorophenyl)cyclopropanecarboxylic Acid (CAS# 872422-15-6) is a useful research chemical. |
Molecular Weight: | 259.07 |
Molecular Formula: | C10H8BrFO2 |
Canonical SMILES: | C1CC1(C2=C(C=C(C=C2)Br)F)C(=O)O |
InChI: | InChI=1S/C10H8BrFO2/c11-6-1-2-7(8(12)5-6)10(3-4-10)9(13)14/h1-2,5H,3-4H2,(H,13,14) |
InChI Key: | UPADMCJEKQAEKT-UHFFFAOYSA-N |
Appearance: | Off-white to yellow solid |
MDL: | MFCD12405622 |
LogP: | 2.70440 |
Publication Number | Title | Priority Date |
US-2014213538-A1 | Lysophosphatidic acid receptor antagonists | 20130115 |
WO-2014113485-A1 | Lysophosphatidic acid receptor antagonists | 20130115 |
AU-2013279513-A1 | N-aryltriazole compounds as LPAR antagonists | 20120620 |
CA-2869564-A1 | N-aryltriazole compounds as lpar antagonists | 20120620 |
EP-2864301-A1 | N-aryltriazole compounds as lpar antagonists | 20120620 |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.96917 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.96917 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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