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944651-14-3 | 4-Bromo-3',4'-dimethoxybenzhydrol
CAS No: 944651-14-3 Catalog No: AG01EZIM MDL No:
Product Description
Catalog Number:
AG01EZIM
Chemical Name:
4-Bromo-3',4'-dimethoxybenzhydrol
CAS Number:
944651-14-3
Molecular Formula:
C15H15BrO3
Molecular Weight:
323.1818
IUPAC Name:
(4-bromophenyl)-(3,4-dimethoxyphenyl)methanol
InChI:
InChI=1S/C15H15BrO3/c1-18-13-8-5-11(9-14(13)19-2)15(17)10-3-6-12(16)7-4-10/h3-9,15,17H,1-2H3
InChI Key:
DGNNFTUOIOMNAX-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(c1ccc(cc1)Br)O
Properties
Complexity:
266
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
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