AG00229K

1807224-98-1 | Benzene, 1-bromo-5-methoxy-4-methyl-2-nitro-

AG00229K

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CAS Number	1807224-98-1
Catalog Number	AG00229K(AGN-PC-0WR2YA)
Chemical Name	Benzene, 1-bromo-5-methoxy-4-methyl-2-nitro-
IUPAC Name	1-bromo-5-methoxy-4-methyl-2-nitrobenzene
InChI	InChI=1S/C8H8BrNO3/c1-5-3-7(10(11)12)6(9)4-8(5)13-2/h3-4H,1-2H3
InChI Key	GXBSOAPODNIVDI-UHFFFAOYSA-N
MDL Number	MFCD28291981
Molecular Formula	C8H8BrNO3
Molecular Weight	246.0580
SMILES	O=[N+](C1=CC(C)=C(OC)C=C1Br)[O-]
Synonyms	1-Bromo-5-methoxy-4-methyl-2-nitrobenzene, 1807224-98-1, SCHEMBL17038146, 5-Bromo-2-methyl-4-nitroanisole, MFCD28291981, ZINC261507261, Benzene, 1-bromo-5-methoxy-4-methyl-2-nitro-,

Complexity	194
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.969g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	246.06g/mol
Monoisotopic Mass	244.969g/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-H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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