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201471-78-5 | Benzene, 1-bromo-2,3-dimethoxy-4-methyl-
CAS No: 201471-78-5 Catalog No: AG002DG5 MDL No:
Product Description
Catalog Number:
AG002DG5
Chemical Name:
Benzene, 1-bromo-2,3-dimethoxy-4-methyl-
CAS Number:
201471-78-5
Molecular Formula:
C9H11BrO2
Molecular Weight:
231.0864
IUPAC Name:
1-bromo-2,3-dimethoxy-4-methylbenzene
InChI:
InChI=1S/C9H11BrO2/c1-6-4-5-7(10)9(12-3)8(6)11-2/h4-5H,1-3H3
InChI Key:
NQRZZKAZLGASGY-UHFFFAOYSA-N
SMILES:
COc1c(Br)ccc(c1OC)C
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.994g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.089g/mol
Monoisotopic Mass:
229.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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