AG001GCZ

141428-47-9 | 2-(2,3-Difluoro-6-nitrophenyl)acetic acid

AG001GCZ

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CAS Number	141428-47-9
Catalog Number	AG001GCZ(AGN-PC-03RVBR)
Chemical Name	2-(2,3-Difluoro-6-nitrophenyl)acetic acid
IUPAC Name	2-(2,3-difluoro-6-nitrophenyl)acetic acid
InChI	InChI=1S/C8H5F2NO4/c9-5-1-2-6(11(14)15)4(8(5)10)3-7(12)13/h1-2H,3H2,(H,12,13)
InChI Key	KZNVCGPCWKYPKD-UHFFFAOYSA-N
MDL Number	MFCD11053839
Molecular Formula	C8H5F2NO4
Molecular Weight	217.1264
SMILES	OC(=O)CC1=C(F)C(F)=CC=C1[N+]([O-])=O
Synonyms	2-(2,3-Difluoro-6-nitrophenyl)acetic acid, 141428-47-9, 2,3-difluoro-6-nitrophenylacetic acid, (2,3-difluoro-6-nitrophenyl)acetic acid, Benzeneacetic acid, 2,3-difluoro-6-nitro-, Q-103443, 2,3-Difluoro-6-nitrobenzeneacetic acid, ACMC-1BYF5, SCHEMBL3391673, CTK4C2621, DTXSID40625918, KZNVCGPCWKYPKD-UHFFFAOYSA-N, BCP23129, ANW-20619, CD-052, CD0057, MFCD11053839, ZINC38537112, AKOS015853346, RTR-005327, AJ-95893, AK-39085, AS-30942, AX8162494, DB-002120, TR-005327, (2,3-Difluoro-6-nitro-phenyl)-acetic acid, AM20020480, D4583, FT-0686933, V3105, B-3391, I01-0801, C8H5F2NO4,

Complexity	268
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.019g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	217.128g/mol
Monoisotopic Mass	217.019g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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