AG003B9Z

134672-70-1 | 3-(2,4-Difluorophenyl)propionic acid

AG003B9Z

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CAS Number	134672-70-1
Catalog Number	AG003B9Z(AGN-PC-0LKMJX)
Chemical Name	3-(2,4-Difluorophenyl)propionic acid
IUPAC Name	3-(2,4-difluorophenyl)propanoic acid
InChI	InChI=1S/C9H8F2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13)
InChI Key	XAPRKUUFZCSOTE-UHFFFAOYSA-N
MDL Number	MFCD04116052
Molecular Formula	C9H8F2O2
Molecular Weight	186.1554
SMILES	OC(=O)CCC1=C(F)C=C(F)C=C1
Synonyms	134672-70-1, 3-(2,4-Difluorophenyl)propionic acid, 3-(2,4-difluorophenyl)propanoic Acid, Benzenepropanoic acid, 2,4-difluoro-, 3-(2,4-Difluorophenyl)-propionic acid, 2,4-Difluoro-benzenepropanoic acid, AC1NLOIN, ACMC-20ai68, SCHEMBL2397247, CTK4B9348, DTXSID30407265, XAPRKUUFZCSOTE-UHFFFAOYSA-N, ZINC2528434, 3-(2,4difluorophenyl)propanoic acid, 6229AA, ANW-74478, CD-843, MFCD04116052, SBB068269, AKOS000190813, ACN-051118, JS-4397, MCULE-4713099592, NE30836, RP24614, RTR-071506, 3-(2',4'difluorophenyl)propionic acid, 3-(2,4-di-fluorophenyl)propionic acid, 3-(2,4-difluorophenyl) propanoic acid, KS-00000Z69, 3-(2,4-difluoro-phenyl)-propionic acid, 3-(2',4'-Difluorophenyl)propionic acid, AJ-38285, SC-11447, DB-021575, 3-[2,4-bis(fluoranyl)phenyl]propanoic acid, FT-0659899, 3-(2,4-Difluorophenyl)propionic acid, 97%, A806822, I14-5754, J-510468, F2167-9477, C9H8F2O2, 2-fluoro-5-trifluoromethoxy aniline, 3-(2,4-Difluorophenyl)propionicacid, CID4986395,

Complexity	185
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-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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