AG005COV

7356-52-7 | 3-ACETAMIDO-4-METHYL-2-NITROBENZOIC ACID

AG005COV

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CAS Number	7356-52-7
Catalog Number	AG005COV(AGN-PC-0JOHC0)
Chemical Name	3-ACETAMIDO-4-METHYL-2-NITROBENZOIC ACID
IUPAC Name	3-acetamido-4-methyl-2-nitrobenzoic acid
InChI	InChI=1S/C10H10N2O5/c1-5-3-4-7(10(14)15)9(12(16)17)8(5)11-6(2)13/h3-4H,1-2H3,(H,11,13)(H,14,15)
InChI Key	TXVWKWQKCFPEDJ-UHFFFAOYSA-N
MDL Number	MFCD00755098
Molecular Formula	C10H10N2O5
Molecular Weight	238.1968
NSC Number	53197
SMILES	C1=C(C(=C(C(=C1)C)NC(C)=O)[N+](=O)[O-])C(O)=O
Synonyms	3-acetamido-4-methyl-2-nitrobenzoic acid, 7356-52-7, 2-NITRO-3-ACETYLAMINO-4-METHYLBENZOIC ACID, 3-acetamido-4-methyl-2-nitro-benzoic acid, AK-28283, 3-(acetylamino)-4-methyl-2-nitrobenzoic acid, Benzoic acid, 3-(acetylamino)-4-methyl-2-nitro-, NSC53197, AC1L6BJY, AC1Q1YD7, Oprea1_187115, SCHEMBL559811, CTK2I0601, DTXSID80287897, TXVWKWQKCFPEDJ-UHFFFAOYSA-N, KS-00000N6P, ZINC4021782, ANW-49472, MFCD00755098, NSC-53197, AKOS015919857, GS-4046, MCULE-3207924804, RP28322, AJ-47708, BR-28283, AX8077612, DB-055778, ST2410407, TC-138217, 4CH-015285, FT-0636451, ST50979862, W8164, S-3225, A845565, C-42652, SR-01000208110, J-511493, SR-01000208110-1, C10H10N2O5, AR-1F1552, CID243433, ACN-029068, 96-23-1,

Complexity	338
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.059g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	238.199g/mol
Monoisotopic Mass	238.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	112A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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