AG003FK2

81029-03-0 | 1-Methoxy-2,3-dimethyl-4-nitrobenzene

AG003FK2

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CAS Number	81029-03-0
Catalog Number	AG003FK2(AGN-PC-0JTIET)
Chemical Name	1-Methoxy-2,3-dimethyl-4-nitrobenzene
EC Number	279-674-5
IUPAC Name	1-methoxy-2,3-dimethyl-4-nitrobenzene
InChI	InChI=1S/C9H11NO3/c1-6-7(2)9(13-3)5-4-8(6)10(11)12/h4-5H,1-3H3
InChI Key	DUBFMQLUMHKYOX-UHFFFAOYSA-N
MDL Number	MFCD00007163
Molecular Formula	C9H11NO3
Molecular Weight	181.1885
SMILES	COC1=C(C)C(C)=C(C=C1)[N+]([O-])=O
Synonyms	2,3-Dimethyl-4-nitroanisole, 81029-03-0, 1-Methoxy-2,3-dimethyl-4-nitrobenzene, 2,3-Dimethyl-p-nitroanisole, 4-Methoxy-2,3-dimethylnitrobenzene, 3-Methoxy-6-nitro-o-xylene, Benzene, 1-methoxy-2,3-dimethyl-4-nitro-, DUBFMQLUMHKYOX-UHFFFAOYSA-N, 1-METHOXY-2,3-DIMETHYL-4-NITRO-BENZENE, EINECS 279-674-5, PubChem13217, ACMC-209pkk, AC1LC8W6, 2,3-dimethy-4-nitrolanisole, KSC496E8F, 4-Nitro-2,3-dimethylanisole, SCHEMBL4466194, CTK3J6282, DTXSID00230865, 2,3-dimethyl-p-nitroanisole,98%, ACT11671, KS-000015CP, ZINC2567945, ZX-AT008306, ANW-37410, MFCD00007163, OR6593, SBB064489, 2,3-Dimethyl-4-nitroanisole, 95%, AKOS015851690, AC-3794, AM62106, AS01393, AS04313, CM11738, CS-W017160, FCH1118617, MCULE-9994224530, RTR-025524, TRA0003675, 4-methoxy-2,3-dimethyl-1-nitrobenzene, AJ-41517, AK-79108, AN-12636, BP-10023, CC-06988, CJ-09819, SC-47344, 1-Methoxy-2,3-dimethyl-4-nitrobenzene #, AB0031238, AX8006850, DB-019780, ST2415376, TL8005425, TR-025524, D2409, FT-0641804, ST50406412, X4250, A19866, C-06844, I01-4965, 3-methoxy-6-nitro-o-xylene1-methoxy-2,3-dimethyl-4-nitrobenzene, C9H11NO3, C9-H11-N-O3, CID596465, ZINC02567945,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.074g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	181.191g/mol
Monoisotopic Mass	181.074g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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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