AG003H9Q

315228-19-4 | 2-(2-Fluoro-4-Nitrophenyl)Acetic Acid

AG003H9Q

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CAS Number	315228-19-4
Catalog Number	AG003H9Q(AGN-PC-03L446)
Chemical Name	2-(2-Fluoro-4-Nitrophenyl)Acetic Acid
IUPAC Name	2-(2-fluoro-4-nitrophenyl)acetic acid
InChI	InChI=1S/C8H6FNO4/c9-7-4-6(10(13)14)2-1-5(7)3-8(11)12/h1-2,4H,3H2,(H,11,12)
InChI Key	HKGNZXXYXCKJHO-UHFFFAOYSA-N
MDL Number	MFCD11041422
Molecular Formula	C8H6FNO4
Molecular Weight	199.1359
SMILES	O=C(O)CC1=CC=C([N+]([O-])=O)C=C1F
Synonyms	315228-19-4, 2-(2-fluoro-4-nitrophenyl)acetic acid, 2-FLUORO-4-NITROPHENYLACETIC ACID, (2-Fluoro-4-nitrophenyl)acetic acid, (2-FLUORO-4-NITRO-PHENYL)-ACETIC ACID, Benzeneacetic acid, 2-fluoro-4-nitro-, ACMC-209hnb, C-5304, SCHEMBL2033346, CTK4G7282, KS-00000CHB, 2-Fluoro-4-nitrophenylaceticAcid, DTXSID70622955, HKGNZXXYXCKJHO-UHFFFAOYSA-N, 2-fluoro-4-nitroBenzeneacetic acid, ANW-27141, CX1226, MFCD11041422, ZINC40566661, AKOS005257813, CS-W003750, MCULE-1785572911, RP25676, TRA-0184392, AK-82489, DS-16637, SC-53768, SY005555, AB0033541, AJ-103639, DB-014389, TR-036456, FT-0681297, X7142, MFCD11041422 (97+%), I04-5267, Z1814381780, pramipexole, D0T1TC, C8H6FNO4, 110448-33-4,

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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