AG00IFWY

89978-56-3 | 1-Bromo-4-Methoxy-2-Methyl-5-Nitrobenzene

AG00IFWY

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CAS Number	89978-56-3
Catalog Number	AG00IFWY(AGN-PC-0WAMXP)
Chemical Name	1-Bromo-4-Methoxy-2-Methyl-5-Nitrobenzene
IUPAC Name	1-bromo-4-methoxy-2-methyl-5-nitrobenzene
InChI	InChI=1S/C8H8BrNO3/c1-5-3-8(13-2)7(10(11)12)4-6(5)9/h3-4H,1-2H3
InChI Key	JZKNYKLYLFXWHT-UHFFFAOYSA-N
MDL Number	MFCD23703052
Molecular Formula	C8H8BrNO3
Molecular Weight	246.0580
SMILES	O=[N+](C1=C(OC)C=C(C)C(Br)=C1)[O-]
Synonyms	1-Bromo-4-methoxy-2-methyl-5-nitrobenzene, 89978-56-3, AK113125, SCHEMBL14915780, KS-00000QYE, DTXSID50679907, 4-Bromo-5-methyl-2-nitroanisole, JZKNYKLYLFXWHT-UHFFFAOYSA-N, MFCD23703052, ZINC91301483, AKOS016011853, AM83206, DS-2874, FCH2329482, MP-0986, CJ-22634, OR400208, AJ-129687, AX8243668, ST2415256, 1-Bromo-4-methoxy-2-methyl-5-nitro-benzene, 4CH-012291, CS-0041487, Z5308, C8H8BrNO3,

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	3.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number