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147912-63-8 | Benzene, 2-bromo-1-(bromomethyl)-3,4-dimethoxy-
CAS No: 147912-63-8 Catalog No: AG001F9U MDL No:
Product Description
Catalog Number:
AG001F9U
Chemical Name:
Benzene, 2-bromo-1-(bromomethyl)-3,4-dimethoxy-
CAS Number:
147912-63-8
Molecular Formula:
C9H10Br2O2
Molecular Weight:
309.9825
IUPAC Name:
2-bromo-1-(bromomethyl)-3,4-dimethoxybenzene
InChI:
InChI=1S/C9H10Br2O2/c1-12-7-4-3-6(5-10)8(11)9(7)13-2/h3-4H,5H2,1-2H3
InChI Key:
WEWGUPGEALYFMS-UHFFFAOYSA-N
SMILES:
COc1c(OC)ccc(c1Br)CBr
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.903g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.985g/mol
Monoisotopic Mass:
307.905g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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