AG00ABHM

16292-88-9 | Benzenamine, 3-methoxy-4-nitro-

AG00ABHM

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CAS Number	16292-88-9
Catalog Number	AG00ABHM(AGN-PC-0KKKO9)
Chemical Name	Benzenamine, 3-methoxy-4-nitro-
IUPAC Name	3-methoxy-4-nitroaniline
InChI	InChI=1S/C7H8N2O3/c1-12-7-4-5(8)2-3-6(7)9(10)11/h2-4H,8H2,1H3
InChI Key	JVUHWSGOORVDML-UHFFFAOYSA-N
MDL Number	MFCD06661773
Molecular Formula	C7H8N2O3
Molecular Weight	168.1500
SMILES	COC1=C(C=CC(N)=C1)[N+]([O-])=O
Synonyms	3-methoxy-4-nitroaniline, 16292-88-9, Benzenamine, 3-methoxy-4-nitro-, 3-METHOXY-4-NITROBENZENAMINE, JVUHWSGOORVDML-UHFFFAOYSA-N, 4-Nitro-m-anisidine, PubChem23901, 5-Amino-2-nitroanisole, AC1MBS3X, SCHEMBL358064, 3-methoxy-4-nitro-phenylamine, CTK0E6174, DTXSID00373125, CS-M0192, ZINC3852568, 8270AA, ANW-68372, MFCD06661773, AKOS004910300, AJ-45939, AK-79735, AS-10599, SC-25597, DB-064478, TC-157117, FT-0713439, ST24042271, S02-0315, C7H8N2O3, ZINC03852568, ACN-050370, CID2755795, CID11819409, N-hydroxy-4-imino-2-methoxy-cyclohexa-2,5-dien-1-imine Oxide,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.053g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	168.152g/mol
Monoisotopic Mass	168.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	81.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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