AG00GY6K

886498-12-0 | 3-(3-Chloro-2-fluorophenyl)propionic acid

AG00GY6K

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CAS Number	886498-12-0
Catalog Number	AG00GY6K(AGN-PC-0WAODW)
Chemical Name	3-(3-Chloro-2-fluorophenyl)propionic acid
IUPAC Name	3-(3-chloro-2-fluorophenyl)propanoic acid
InChI	InChI=1S/C9H8ClFO2/c10-7-3-1-2-6(9(7)11)4-5-8(12)13/h1-3H,4-5H2,(H,12,13)
InChI Key	VYQNICAOBPTLMG-UHFFFAOYSA-N
MDL Number	MFCD04115206
Molecular Formula	C9H8ClFO2
Molecular Weight	202.6100
SMILES	O=C(O)CCC1=CC=CC(Cl)=C1F
Synonyms	3-(3-chloro-2-fluorophenyl)propanoic acid, 886498-12-0, 3-(3-Chloro-2-fluorophenyl)propionic acid, AC1NM9SC, CTK7J3080, DTXSID70407406, JRD-1694, ZINC2528437, MFCD04116055, SBB093001, AKOS015956549, DS-9663, AK179518, 3-(3'-Chloro-2'-fluorophenyl)propionic acid, CID5001242, 3-(3-chloro-2-fluoro-phenyl)propanoic Acid,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.02g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	202.609g/mol
Monoisotopic Mass	202.02g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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