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88208-71-3 | Benzene, 2-bromo-3-(bromomethyl)-1,4-dimethoxy-5-methyl-
CAS No: 88208-71-3 Catalog No: AG004C1H MDL No:
Product Description
Catalog Number:
AG004C1H
Chemical Name:
Benzene, 2-bromo-3-(bromomethyl)-1,4-dimethoxy-5-methyl-
CAS Number:
88208-71-3
Molecular Formula:
C10H12Br2O2
Molecular Weight:
324.0091
IUPAC Name:
2-bromo-3-(bromomethyl)-1,4-dimethoxy-5-methylbenzene
InChI:
InChI=1S/C10H12Br2O2/c1-6-4-8(13-2)9(12)7(5-11)10(6)14-3/h4H,5H2,1-3H3
InChI Key:
LWXUQJBAPRWVJI-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(c(c1Br)CBr)OC
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.918g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.012g/mol
Monoisotopic Mass:
321.92g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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