AG003JQ0

5367-32-8 | 4-Methoxy-2-methyl-1-nitrobenzene

AG003JQ0

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CAS Number	5367-32-8
Catalog Number	AG003JQ0(AGN-PC-00SV3E)
Chemical Name	4-Methoxy-2-methyl-1-nitrobenzene
EC Number	226-356-9
IUPAC Name	4-methoxy-2-methyl-1-nitrobenzene
InChI	InChI=1S/C8H9NO3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5H,1-2H3
InChI Key	RTZOGYCMIMOVHU-UHFFFAOYSA-N
MDL Number	MFCD00007167
Molecular Formula	C8H9NO3
Molecular Weight	167.1620
NSC Number	37985
SMILES	COC1=CC=C([N+]([O-])=O)C(C)=C1
Synonyms	3-Methyl-4-nitroanisole, 5367-32-8, 4-Methoxy-2-methyl-1-nitrobenzene, 5-Methoxy-2-nitrotoluene, Benzene, 4-methoxy-2-methyl-1-nitro-, 1-Methoxy-3-methyl-4-nitrobenzene, 4-methoxy-2-methyl-1-nitro-benzene, MFCD00007167, Anisole, 3-methyl-4-nitro-, RTZOGYCMIMOVHU-UHFFFAOYSA-N, 3-METHOXY-6-NITROTOLUENE, 2-NITRO-5-METHOXY TOLUENE, 2-NITRO-5-METHOXYMETHYLBENZENE, NSC37985, EINECS 226-356-9, PubChem4149, ACMC-1AQJM, 2-Nitro-5-methoxytoluene, AC1L2X5S, AC1Q1YC2, KSC494S7N, ARONIS24146, SCHEMBL1897174, 3-Methyl-4-nitroanisole, 97%, CTK3J4976, DTXSID40201913, ACT11693, KS-000046KA, Nitrobenzene, 4-methoxy-6-methyl-, ZINC1670353, 3-Methyl-4-nitrophenol methyl ether, ANW-31827, NSC-37985, SBB055094, STL026209, AKOS005111367, AC-3814, AM62020, AS01409, AS04225, CM11787, MCULE-7482992515, RP22984, RTR-018990, TRA0062214, VZ27081, AJ-29165, AK-35545, AN-12584, AS-10830, CJ-27122, AB0008297, DB-052376, ST2417792, TR-018990, FT-0616087, ST45053315, A19874, M-2873, 367M328, AE-562/43286417, I01-4888, W-105714, Z208835124, InChI=1/C8H9NO3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5H,1-2H, C8H9NO3, C8-H9-N-O3, CID79330, AR-1G3060, M1369, 3-Methyl-4-nitroanisole, 98% - 25G 25g, 2210-79-9, 5454-78-4,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.058g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	167.164g/mol
Monoisotopic Mass	167.058g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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