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60081-03-0 | 2-Bromo-3',4'-dimethoxybenzhydrol
CAS No: 60081-03-0 Catalog No: AG01EWLW MDL No:
Product Description
Catalog Number:
AG01EWLW
Chemical Name:
2-Bromo-3',4'-dimethoxybenzhydrol
CAS Number:
60081-03-0
Molecular Formula:
C15H15BrO3
Molecular Weight:
323.1818
IUPAC Name:
(2-bromophenyl)-(3,4-dimethoxyphenyl)methanol
InChI:
InChI=1S/C15H15BrO3/c1-18-13-8-7-10(9-14(13)19-2)15(17)11-5-3-4-6-12(11)16/h3-9,15,17H,1-2H3
InChI Key:
HWOKKPHUCIWPRO-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(c1ccccc1Br)O
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.02g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.186g/mol
Monoisotopic Mass:
322.02g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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