AG001XIR

167683-63-8 | 3-(2,6-difluorophenyl)propanoic acid

AG001XIR

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CAS Number	167683-63-8
Catalog Number	AG001XIR(AGN-PC-01VKN4)
Chemical Name	3-(2,6-difluorophenyl)propanoic acid
IUPAC Name	3-(2,6-difluorophenyl)propanoic acid
InChI	InChI=1S/C9H8F2O2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-3H,4-5H2,(H,12,13)
InChI Key	IPPVKMOOEHDWBG-UHFFFAOYSA-N
MDL Number	MFCD06823978
Molecular Formula	C9H8F2O2
Molecular Weight	186.1554
SMILES	OC(CCC1=C(F)C=CC=C1F)=O
Synonyms	167683-63-8, 3-(2,6-Difluorophenyl)propionic acid, 3-(2,6-difluorophenyl)propanoic acid, Benzenepropanoic acid, 2,6-difluoro-, 2,6-difluoroBenzenepropanoic acid, 3-(2,6-Difluorophenyl)propionicAcid, AC1Q757T, SCHEMBL4714927, CTK7J2985, DTXSID80593445, 2,6-Difluoro-benzenepropanoic acid, KS-00000CO5, 5609AJ, MFCD06823978, ZINC19436267, AKOS000174041, MCULE-2111261989, RP24613, TRA0090331, AC-23586, AJ-73526, AS-32393, SC-36220, SY013788, AB0065892, DB-064655, RT-008299, FT-0742932, EN300-37543, K-5193, MFCD06823978 (97+%), J-510478, I14-20164, C9H8F2O2, 2-Fluoro-6-(trifluoromethyl)aniline, 1095010-48-2,

Complexity	175
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.049g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	186.158g/mol
Monoisotopic Mass	186.049g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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