AG005XZM

753924-40-2 | Benzoic acid, 2-fluoro-4-methyl-5-nitro- (9CI)

AG005XZM

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CAS Number	753924-40-2
Catalog Number	AG005XZM(AGN-PC-03HC0S)
Chemical Name	Benzoic acid, 2-fluoro-4-methyl-5-nitro- (9CI)
IUPAC Name	2-fluoro-4-methyl-5-nitrobenzoic acid
InChI	InChI=1S/C8H6FNO4/c1-4-2-6(9)5(8(11)12)3-7(4)10(13)14/h2-3H,1H3,(H,11,12)
InChI Key	UBAWHHHAAFFKGE-UHFFFAOYSA-N
MDL Number	MFCD18426005
Molecular Formula	C8H6FNO4
Molecular Weight	199.1359
SMILES	O=C(O)C1=CC([N+]([O-])=O)=C(C)C=C1F
Synonyms	2-Fluoro-4-methyl-5-nitrobenzoic acid, 753924-40-2, Benzoic acid, 2-fluoro-4-methyl-5-nitro- (9CI), 2-Fluoro-4-methyl-5-nitro-benzoic acid, Benzoic acid, 2-fluoro-4-methyl-5-nitro-, SCHEMBL2443339, CTK2H6823, DTXSID90619589, UBAWHHHAAFFKGE-UHFFFAOYSA-N, ZINC39084649, AKOS017516355, AJ-98108, CS-15565, CS-0043479, ACN-056572, Benzoicacid,2-fluoro-4-methyl-5-nitro-,

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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number