AG001W84

16554-47-5 | Benzenamine, 3-methoxy-2-nitro-

AG001W84

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CAS Number	16554-47-5
Catalog Number	AG001W84(AGN-PC-0N4VZG)
Chemical Name	Benzenamine, 3-methoxy-2-nitro-
IUPAC Name	3-methoxy-2-nitroaniline
InChI	InChI=1S/C7H8N2O3/c1-12-6-4-2-3-5(8)7(6)9(10)11/h2-4H,8H2,1H3
InChI Key	RITQAMSEQYWFML-UHFFFAOYSA-N
MDL Number	MFCD18324417
Molecular Formula	C7H8N2O3
Molecular Weight	168.1500
SMILES	NC1=CC=CC(OC)=C1[N+]([O-])=O
Synonyms	3-Methoxy-2-nitroaniline, 16554-47-5, 2-nitro-3-methoxyaniline, Benzenamine, 3-methoxy-2-nitro-, 3-METHOXY-2-NITRO-PHENYLAMINE, aminonitroanisole, 2-Nitro-m-anisidine, 3-Amino-2-nitroanisole, 3-methoxy-2-nitro aniline, 3-methoxy-2-nitrophenylamine, SCHEMBL104227, CTK0E5722, KS-00000PCV, DTXSID80440288, RITQAMSEQYWFML-UHFFFAOYSA-N, ANW-45381, MFCD18324417, ZINC38916145, AKOS015998832, CS-W006723, GS-3741, MP-0112, AJ-97143, AK-76066, DA-16950, SC-97503, 3-Methoxy-2-nitro-phenylamine, AldrichCPR, TC-134126, 4CH-011078, FT-0764958, ST24022926, W3602, 3-methoxy-2-nitro-aniline, C7H8N2O3, CID10464700,

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	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number