1-(2,3-Difluorophenyl)cyclopropanecarboxylic Acid - CAS 1260664-89-8
Catalog: |
BB006324 |
Product Name: |
1-(2,3-Difluorophenyl)cyclopropanecarboxylic Acid |
CAS: |
1260664-89-8 |
Synonyms: |
1-(2,3-difluorophenyl)-1-cyclopropanecarboxylic acid; 1-(2,3-difluorophenyl)cyclopropane-1-carboxylic acid |
IUPAC Name: | 1-(2,3-difluorophenyl)cyclopropane-1-carboxylic acid |
Description: | 1-(2,3-Difluorophenyl)cyclopropanecarboxylic Acid (CAS# 1260664-89-8 ) is a useful research chemical. |
Molecular Weight: | 198.17 |
Molecular Formula: | C10H8F2O2 |
Canonical SMILES: | C1CC1(C2=C(C(=CC=C2)F)F)C(=O)O |
InChI: | InChI=1S/C10H8F2O2/c11-7-3-1-2-6(8(7)12)10(4-5-10)9(13)14/h1-3H,4-5H2,(H,13,14) |
InChI Key: | AZLLDERTVHHERM-UHFFFAOYSA-N |
LogP: | 2.08100 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2018251431-A1 | 1,3-substituted pyrazole compounds useful for reduction of very long chain fatty acid levels | 20161209 |
WO-2018107056-A1 | 1,3-substitued pyrazole compounds useful for reduction of very long chain fatty acic levels | 20161209 |
KR-20160079082-A | Autotaxin inhibitor compounds | 20131122 |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.04923582 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.04923582 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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