AG0037JX

586-10-7 | 3-methoxy-5-nitroaniline

AG0037JX

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CAS Number	586-10-7
Catalog Number	AG0037JX(AGN-PC-0KKNC7)
Chemical Name	3-methoxy-5-nitroaniline
IUPAC Name	3-methoxy-5-nitroaniline
InChI	InChI=1S/C7H8N2O3/c1-12-7-3-5(8)2-6(4-7)9(10)11/h2-4H,8H2,1H3
InChI Key	BGWUXZLHDLNYHW-UHFFFAOYSA-N
MDL Number	MFCD01103799
Molecular Formula	C7H8N2O3
Molecular Weight	168.1500
SMILES	NC1=CC([N+]([O-])=O)=CC(OC)=C1
Synonyms	3-methoxy-5-nitroaniline, 586-10-7, 3-methoxy-5-nitro-phenylamine, (3-methoxy-5-nitrophenyl)amine, 3-methoxy-5-nitrophenylamine, 3-methoxy-5-nitro-aniline, benzenamine, 3-methoxy-5-nitro-, ZERO/006196, 5-Nitro-m-anisidine, 3-Amino-5-nitroanisol, 3-Amino-5-nitroanisole, AC1MC0RX, SCHEMBL189811, CTK1G8419, DTXSID70374861, BGWUXZLHDLNYHW-UHFFFAOYSA-N, ALBB-005570, ZINC2573077, [3-(methyloxy)-5-nitrophenyl]amine, 6097AE, MFCD01103799, SBB013930, STK315865, AKOS000282838, AN-4353, FS-5970, MCULE-5752351648, AJ-42120, ST082949, DB-053236, TR-020366, BB 0253160, FT-0632447, W-7864, A831951, I14-29004, C7H8N2O3, CID2759598,

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	2

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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