AG00DC0A

52033-70-2 | Benzoic acid, 2-​nitro-​5-​[(2-​phenylacetyl)​amino]​-

AG00DC0A

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CAS Number	52033-70-2
Catalog Number	AG00DC0A(AGN-PC-0JNMKR)
Chemical Name	Benzoic acid, 2-​nitro-​5-​[(2-​phenylacetyl)​amino]​-
IUPAC Name	2-nitro-5-[(2-phenylacetyl)amino]benzoic acid
InChI	InChI=1S/C15H12N2O5/c18-14(8-10-4-2-1-3-5-10)16-11-6-7-13(17(21)22)12(9-11)15(19)20/h1-7,9H,8H2,(H,16,18)(H,19,20)
InChI Key	QHVQEQRGDKOHHC-UHFFFAOYSA-N
MDL Number	MFCD00043603
Molecular Formula	C15H12N2O5
Molecular Weight	300.2662
SMILES	C(=O)(O)c1c(N(=O)=O)ccc(c1)NC(=O)Cc1ccccc1
Synonyms	2-nitro-5-phenylacetaminobenzoic acid, 6-nitro-3-phenylacetamidobenzoic acid, NIPAB, 52033-70-2, NIPAB, 2-Nitro-5-(phenylacetylamino)-benzoic acid, 2-Nitro-5-[(phenylacetyl)amino]benzoic acid, 6-Nitro-3-phenylacetamidobenzoic acid, 2-Nitro-5-(2-phenylacetamido)benzoic acid, 2-nitro-5-[(2-phenylacetyl)amino]benzoic acid, QHVQEQRGDKOHHC-UHFFFAOYSA-N, FR-1204, Benzoic acid,2-nitro-5-[(2-phenylacetyl)amino]-, 2-nitro-5-(2-phenylacetylamino)benzoic acid, Benzoic acid, 2-nitro-5-((phenylacetyl)amino)-, Benzoic acid, 2-nitro-5-[(phenylacetyl)amino]-, AC1L4X5N, AC1Q5M27, SCHEMBL3392821, CTK4J5301, DTXSID40200007, ZINC5260579, MFCD00043603, SBB008308, AKOS015833314, MCULE-3506182529, ACM52033702, 2-Nitro-5-phenylacetylamino-benzoic acid, 6-Nitro-3-(phenylacetamido)benzoic acid, 3-(Phenylacetylamino)-6-nitrobenzoic acid, N-(3-Carboxy-4-nitrophenyl)phenylacetamide, TR-018506, CS-0062160, ST50828184, TL80090344, 2-Nitro-5-[(phenylacetyl)amino]benzoic acid #, 6-?Nitro-?3-?(Phenylacetamido)?Benzoic Acid, 6-Nitro-3-(phenylacetamido)benzoic acid, >=98%, C-49011, 2 - Nitro - 5 - phenylacetylamino - benzoic acid, 2-Nitro-5-phenylacetaminobenzoic acid, AR-1E4350, CID193864, 5468-90-6,

Complexity	428
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	300.075g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	300.27g/mol
Monoisotopic Mass	300.075g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	112A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H318-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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