AG004SMS

850462-64-5 | 5-Fluoro-2-methyl-3-nitrobenzoic acid

AG004SMS

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CAS Number	850462-64-5
Catalog Number	AG004SMS(AGN-PC-01NJPN)
Chemical Name	5-Fluoro-2-methyl-3-nitrobenzoic acid
IUPAC Name	5-fluoro-2-methyl-3-nitrobenzoic acid
InChI	InChI=1S/C8H6FNO4/c1-4-6(8(11)12)2-5(9)3-7(4)10(13)14/h2-3H,1H3,(H,11,12)
InChI Key	CMZCBPLTJBYJHZ-UHFFFAOYSA-N
MDL Number	MFCD12913348
Molecular Formula	C8H6FNO4
Molecular Weight	199.1359
SMILES	CC1=C(C=C(F)C=C1[N+]([O-])=O)C(O)=O
Synonyms	5-FLUORO-2-METHYL-3-NITROBENZOIC ACID, 850462-64-5, Benzoic acid, 5-fluoro-2-methyl-3-nitro-, SCHEMBL2041245, CTK8B6911, DTXSID80591941, CMZCBPLTJBYJHZ-UHFFFAOYSA-N, BCP16643, CS-M2036, KS-00000Q4R, ANW-54800, CF-557, MFCD12913348, ZINC62665892, AKOS012348787, CM12773, 2-Methyl-5-fluoro-3-nitrobenzoic Acid, AK-90009, DA-17841, DS-16774, AB0037782, AJ-114188, TX-017202, 4CH-003452, FT-0719985, ST24024091, TL80090119, Y5110, L-1201, C8H6FNO4, 5-Fluoro-2-methyl-3-nitrobenzoicacid, ACN-041671, 697739-03-0,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number