AG00117D

13280-60-9 | Benzoic acid, 5-amino-2-nitro-

AG00117D

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CAS Number	13280-60-9
Catalog Number	AG00117D(AGN-PC-0JLUFS)
Chemical Name	Benzoic acid, 5-amino-2-nitro-
EC Number	236-283-4
IUPAC Name	5-amino-2-nitrobenzoic acid
InChI	InChI=1S/C7H6N2O4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,8H2,(H,10,11)
InChI Key	KZZWQCKYLNIOBT-UHFFFAOYSA-N
MDL Number	MFCD00035748
Molecular Formula	C7H6N2O4
Molecular Weight	182.1335
NSC Number	74455
SMILES	O=C(O)C1=CC(N)=CC=C1[N+]([O-])=O
Synonyms	5-amino-2-nitrobenzoate, 5-amino-2-nitrobenzoic acid, 5-Amino-2-nitrobenzoic acid, 13280-60-9, Benzoic acid, 5-amino-2-nitro-, 2-Nitro-5-aminobenzoic acid, MFCD00035748, 3-Carboxy-4-nitroaniline, 5-amino-2-nitro-benzoic acid, KZZWQCKYLNIOBT-UHFFFAOYSA-N, NSC74455, EINECS 236-283-4, NSC 74455, PubChem4983, ACMC-1BXCB, AI3-52550, AC1Q5ACA, Intermediates-ZCF02020, 5-Amino-2-nitrobenzoicacid, 6-Nitro-m-anthranilic acid, 3-amino-6-nitrobenzoic acid, 5-amino-2-nitrobenzoic-acid, KSC494O0B, SCHEMBL268279, 5-amino-2-nitro benzoic acid, 5-azanyl-2-nitro-benzoic acid, AC1Q51L5, Jsp001990, CTK3J4700, DTXSID40157805, WT254, AC1L3553, ACT01098, ALBB-031650, ZINC4262487, 5-Amino-2-nitrobenzoic acid, 97%, 5-Amino-2-nitrobenzoic acid; 95%, ANW-43049, BBL103499, CA-096, NSC-74455, SBB008583, STL557309, AKOS000214132, AC-2750, AS06983, CM12436, FR-2292, GS-3072, MCULE-8637395916, RTR-035621, VZ30031, KS-00000W78, AJ-49901, AK-33124, AN-13630, BR-33124, L794, SC-00812, AB0014884, DB-042139, DB-062867, ST2406055, TR-035621, 13280-60-9 5-amino-2-nitrobenzoic acid, 4CH-002583, A0897, CS-0046192, FT-0619986, FT-0701494, ST50405855, TL800742038, A20158, S-2113, A806360, I01-3110, 3-Amino-6-nitrobenzoic acid;3-Carboxy-4-nitroaniline, I14-39109, 5-Amino-2-nitrobenzoate, C7H6N2O4, Benzoicacid,5-amino-2-nitro-, C7-H6-N2-O4, CID83298, AR-1E4351, A1048, 132080-60-5, A-6800, 133762-96-6,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.033g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	182.135g/mol
Monoisotopic Mass	182.033g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	109A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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