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Home > Bromides > 1443312-97-7
1443312-97-7 | 2-Bromo-3',5'-dimethyl-4'-methoxybenzhydrol
CAS No: 1443312-97-7 Catalog No: AG01FAZU MDL No:
Product Description
Catalog Number:
AG01FAZU
Chemical Name:
2-Bromo-3',5'-dimethyl-4'-methoxybenzhydrol
CAS Number:
1443312-97-7
Molecular Formula:
C16H17BrO2
Molecular Weight:
321.2090
IUPAC Name:
(2-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
InChI:
InChI=1S/C16H17BrO2/c1-10-8-12(9-11(2)16(10)19-3)15(18)13-6-4-5-7-14(13)17/h4-9,15,18H,1-3H3
InChI Key:
QSEOQHBAKYPSMX-UHFFFAOYSA-N
SMILES:
COc1c(C)cc(cc1C)C(c1ccccc1Br)O
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.041g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.214g/mol
Monoisotopic Mass:
320.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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