AG0022MK

18102-29-9 | Benzene, 2-methoxy-1-methyl-3-nitro-

AG0022MK

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CAS Number	18102-29-9
Catalog Number	AG0022MK(AGN-PC-0JPFLD)
Chemical Name	Benzene, 2-methoxy-1-methyl-3-nitro-
IUPAC Name	2-methoxy-1-methyl-3-nitrobenzene
InChI	InChI=1S/C8H9NO3/c1-6-4-3-5-7(9(10)11)8(6)12-2/h3-5H,1-2H3
InChI Key	OCSBJPCSPDPAQL-UHFFFAOYSA-N
MDL Number	MFCD00661626
Molecular Formula	C8H9NO3
Molecular Weight	167.1620
NSC Number	167598
SMILES	COC1=C(C)C=CC=C1[N+]([O-])=O
Synonyms	2-METHYL-6-NITROANISOLE, 18102-29-9, 2-methoxy-1-methyl-3-nitrobenzene, Benzene, 2-methoxy-1-methyl-3-nitro-, NSC167598, ACMC-209eha, AC1L6QZC, 2-Methoxy-3-nitrotoluene, SCHEMBL4564308, CTK4D7781, DTXSID40304852, KS-00000EN4, ZINC1664514, ANW-23036, FCH922348, MFCD00661626, AKOS006344266, NSC-167598, RP22983, TRA0036356, ACM18102299, AJ-28968, AK-82845, AS-31532, CJ-06028, SY004625, AB0058968, AX8174102, DB-065346, TC-111781, FT-0687025, V3907, B-7510, MFCD00661626 (97+%), J-510024, I01-10002, C8H9NO3, CID297001, 3-(Phenoxymethyl)furan-2-carboxylic acid,

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	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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