AG001U2R

163395-24-2 | 2-(3-Fluoro-4-nitrophenyl)acetic acid

AG001U2R

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CAS Number	163395-24-2
Catalog Number	AG001U2R(AGN-PC-0KKWBK)
Chemical Name	2-(3-Fluoro-4-nitrophenyl)acetic acid
IUPAC Name	2-(3-fluoro-4-nitrophenyl)acetic acid
InChI	InChI=1S/C8H6FNO4/c9-6-3-5(4-8(11)12)1-2-7(6)10(13)14/h1-3H,4H2,(H,11,12)
InChI Key	BRWLAOKLDCMHIC-UHFFFAOYSA-N
MDL Number	MFCD03094239
Molecular Formula	C8H6FNO4
Molecular Weight	199.1359
SMILES	FC=1C=C(C=CC1[N+](=O)[O-])CC(=O)O
Synonyms	2-(3-fluoro-4-nitrophenyl)acetic acid, 163395-24-2, 3-FLUORO-4-NITROPHENYLACETIC ACID, Benzeneacetic acid, 3-fluoro-4-nitro-, (3-Fluoro-4-nitrophenyl)acetic acid, AC1MCOS5, SCHEMBL2729354, CTK7J2268, DTXSID60379163, BRWLAOKLDCMHIC-UHFFFAOYSA-N, ZINC2243162, 8300AA, ANW-71357, MFCD03094239, AKOS006227866, (3-Fluoro-4-nitro-phenyl)-acetic acid, AJ-34222, AK-94014, AS-44828, SC-84801, SY030683, TX-016740, FT-0701537, MFCD03094239 (95%), C8H6FNO4, CID2774665, 2-(3-fluoro-4-nitro-phenyl)acetic Acid, N/A,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.028g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	199.137g/mol
Monoisotopic Mass	199.028g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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