AG00E5QN

55730-09-1 | 4-Methoxy-5-methyl-2-nitroaniline

AG00E5QN

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CAS Number	55730-09-1
Catalog Number	AG00E5QN(AGN-PC-0NJLP1)
Chemical Name	4-Methoxy-5-methyl-2-nitroaniline
IUPAC Name	4-methoxy-5-methyl-2-nitroaniline
InChI	InChI=1S/C8H10N2O3/c1-5-3-6(9)7(10(11)12)4-8(5)13-2/h3-4H,9H2,1-2H3
InChI Key	QRQYCJHQHGNOPP-UHFFFAOYSA-N
MDL Number	MFCD00031126
Molecular Formula	C8H10N2O3
Molecular Weight	182.1766
SMILES	NC1=CC(C)=C(OC)C=C1[N+]([O-])=O
Synonyms	4-Methoxy-5-methyl-2-nitroaniline, 55730-09-1, 2-Nitro-4-methoxy-5-methylaniline, AK-94371, SCHEMBL5952815, CTK8B6160, DTXSID00504316, 8141AB, ANW-52872, CL8406, MFCD00031126, ZINC39253893, AKOS015890468, AM84083, FCH1177256, AJ-99423, DS-17963, Benzenamine, 4-methoxy-5-methyl-2-nitro-, AX8160634, DB-011081, TC-141617, FT-0760156, ST24029151, I01-6648, C8H10N2O3,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.069g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	182.179g/mol
Monoisotopic Mass	182.069g/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 statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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