AG00EKP2

64695-92-7 | 2-Carboxy-5-fluoro-4-nitrotoluene, 5-Carboxy-2-fluoro-4-methylnitrobenzene

AG00EKP2

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CAS Number	64695-92-7
Catalog Number	AG00EKP2(AGN-PC-03NTZO)
Chemical Name	2-Carboxy-5-fluoro-4-nitrotoluene, 5-Carboxy-2-fluoro-4-methylnitrobenzene
IUPAC Name	4-fluoro-2-methyl-5-nitrobenzoic acid
InChI	InChI=1S/C8H6FNO4/c1-4-2-6(9)7(10(13)14)3-5(4)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key	IBZJPGGBZMXXCE-UHFFFAOYSA-N
MDL Number	MFCD11847453
Molecular Formula	C8H6FNO4
Molecular Weight	199.1359
SMILES	CC1=C(C=C(C(F)=C1)[N+]([O-])=O)C(O)=O
Synonyms	4-FLUORO-2-METHYL-5-NITROBENZOIC ACID, 64695-92-7, Benzoic acid, 4-fluoro-2-methyl-5-nitro-, ACMC-209nnr, SCHEMBL2240615, SCHEMBL15114333, CTK5C1601, DTXSID80624642, IBZJPGGBZMXXCE-UHFFFAOYSA-N, 2-Carboxy-5-fluoro-4-nitrotoluene, ANW-34933, MFCD11847453, ZINC71790215, AKOS005215763, 2-methyl-5-nitro-4-fluorobenzoic acid, CM12772, 4-fluoro-2-methyl-5-nitro-benzoic acid, 5-Carboxy-2-fluoro-4-methylnitrobenzene, AS-33136, SC-32807, AJ-118626, TC-123678, 4-Fluoro-2-methyl-5-nitrobenzoic acid 98%, ST24043731, Z1822, A-2756, I01-11695, 2-Carboxy-5-fluoro-4-nitrotoluene, 5-Carboxy-2-fluoro-4-methylnitrobenzene, C8H6FNO4,

Complexity	252
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	1
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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