1-[3-(Trifluoromethyl)phenyl]cyclopropanecarboxylic Acid - CAS 104173-41-3
Catalog: |
BB001346 |
Product Name: |
1-[3-(Trifluoromethyl)phenyl]cyclopropanecarboxylic Acid |
CAS: |
104173-41-3 |
Synonyms: |
1-[3-(trifluoromethyl)phenyl]-1-cyclopropanecarboxylic acid; 1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid |
IUPAC Name: | 1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid |
Description: | 1-[3-(Trifluoromethyl)phenyl]cyclopropanecarboxylic Acid (CAS# 104173-41-3) is a useful research chemical. |
Molecular Weight: | 230.18 |
Molecular Formula: | C11H9F3O2 |
Canonical SMILES: | C1CC1(C2=CC(=CC=C2)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C11H9F3O2/c12-11(13,14)8-3-1-2-7(6-8)10(4-5-10)9(15)16/h1-3,6H,4-5H2,(H,15,16) |
InChI Key: | NHNFWACSJQAMDR-UHFFFAOYSA-N |
Boiling Point: | 285.8 °C at 760 mmHg |
MDL: | MFCD07374444 |
LogP: | 2.82160 |
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 |
CN-109053630-A | A kind of benzothiazole analog derivative and application thereof | 20180822 |
WO-2020035424-A1 | New heterocyclic compounds as monoacylglycerol lipase inhibitors | 20180813 |
WO-2020035425-A1 | New heterocyclic compounds as monoacylglycerol lipase inhibitors | 20180813 |
CA-3098272-A1 | New heterocyclic compounds as monoacylglycerol lipase inhibitors | 20180813 |
TW-202021970-A | New heterocyclic compounds | 20180813 |
Complexity: | 294 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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