AG00FFCX

65958-37-4 | 1,​2-​Benzenediamine, 4-​methyl-​5-​nitro-

AG00FFCX

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CAS Number	65958-37-4
Catalog Number	AG00FFCX(AGN-PC-0NIQMD)
Chemical Name	1,​2-​Benzenediamine, 4-​methyl-​5-​nitro-
IUPAC Name	4-methyl-5-nitrobenzene-1,2-diamine
InChI	InChI=1S/C7H9N3O2/c1-4-2-5(8)6(9)3-7(4)10(11)12/h2-3H,8-9H2,1H3
InChI Key	VBZQQOZFOSOFLO-UHFFFAOYSA-N
MDL Number	MFCD21604161
Molecular Formula	C7H9N3O2
Molecular Weight	167.1653
SMILES	N(=O)(=O)c1c(C)cc(c(c1)N)N
Synonyms	4-Methyl-5-nitrobenzene-1,2-diamine, 65958-37-4, AK-74263, SCHEMBL11207797, KS-00000PAL, 4-methyl-5-nitro-o-phenylenediamine, MFCD21604161, ZINC39213662, AKOS022182586, FCH1562766, AJ-99124, DS-15700, AX8219726, ST2405886, 4CH-017716,

Complexity	180
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.069g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	167.168g/mol
Monoisotopic Mass	167.069g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	97.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H317-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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