AG005J6B

6968-22-5 | 3-Amino-4-nitrobenzoic acid

AG005J6B

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CAS Number	6968-22-5
Catalog Number	AG005J6B(AGN-PC-0JO774)
Chemical Name	3-Amino-4-nitrobenzoic acid
IUPAC Name	3-amino-4-nitrobenzoic acid
InChI	InChI=1S/C7H6N2O4/c8-5-3-4(7(10)11)1-2-6(5)9(12)13/h1-3H,8H2,(H,10,11)
InChI Key	LYCCVBLUKJRDOF-UHFFFAOYSA-N
MDL Number	MFCD01806270
Molecular Formula	C7H6N2O4
Molecular Weight	182.1335
NSC Number	20672
SMILES	O=C(O)C1=CC=C([N+]([O-])=O)C(N)=C1
Synonyms	3-amino-4-nitrobenzoic acid, 6968-22-5, 3-Amino-4-nitrobenzoicacid, Benzoic acid, 3-amino-4-nitro-, NSC20672, ACMC-209oaf, AC1L5FYB, AC1Q5ASZ, 2-Amino-4-carboxynitrobenzene, 3-amino-4-nitro-benzoic acid, BEN237, SCHEMBL1607853, Benzoic acid,3-amino-4-nitro-, CTK5D0902, DTXSID40281179, LYCCVBLUKJRDOF-UHFFFAOYSA-N, ZINC4367269, ANW-35749, MFCD01806270, NSC-20672, SBB052809, 3-AMINO-4-NITRO BENZOIC ACID, AKOS006242110, MCULE-4092802913, VZ34993, WT81992, AJ-50891, AK-90431, DS-17073, DB-015521, ST2404883, TC-124494, 4CH-003993, FT-0687148, ST50949587, V7355, VU0549293-1, 968A225, Q-102070, F9995-0111, C7H6N2O4, AR-1F1817, CID228071, A1450, 89029-10-7,

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	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number