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1-[2-(Trifluoromethyl)phenyl]cyclopropanecarboxylic Acid

1-[2-(Trifluoromethyl)phenyl]cyclopropanecarboxylic Acid - CAS 886366-06-9

Catalog:	BB039066
Product Name:	1-[2-(Trifluoromethyl)phenyl]cyclopropanecarboxylic Acid
CAS:	886366-06-9
Synonyms:	1-[2-(trifluoromethyl)phenyl]-1-cyclopropanecarboxylic acid; 1-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
Description:	1-[2-(Trifluoromethyl)phenyl]cyclopropanecarboxylic Acid (CAS# 886366-06-9 ) is a useful research chemical.
Molecular Weight:	230.18
Molecular Formula:	C11H9F3O2
Canonical SMILES:	C1CC1(C2=CC=CC=C2C(F)(F)F)C(=O)O
InChI:	InChI=1S/C11H9F3O2/c12-11(13,14)8-4-2-1-3-7(8)10(5-6-10)9(15)16/h1-4H,5-6H2,(H,15,16)
InChI Key:	CQKNWCFXZVEBEO-UHFFFAOYSA-N
LogP:	2.82160

Publication Number	Title	Priority Date
CA-2681757-A1	Methods and compositions for selectin inhibition	20070330
CN-101646652-A	Quinoline derivatives and pharmaceutical compositions comprising them for selectin inhibition	20070330
EP-2134692-A2	Quinoline derivatives and pharmaceutical compositions comprising them for selectin inhibition	20070330
JP-2010523499-A	Methods and compositions for inhibition of selectins	20070330
KR-20090127183-A	Quinoline derivatives, and pharmaceutical composition for inhibiting selectin comprising the same	20070330

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Related Functional Groups

Carbonyl Compounds

[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

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

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