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Home > Bromides > 1443314-27-9
1443314-27-9 | 3-Bromo-3',5'-dimethyl-4'-methoxybenzhydrol
CAS No: 1443314-27-9 Catalog No: AG01FAZV MDL No:
Product Description
Catalog Number:
AG01FAZV
Chemical Name:
3-Bromo-3',5'-dimethyl-4'-methoxybenzhydrol
CAS Number:
1443314-27-9
Molecular Formula:
C16H17BrO2
Molecular Weight:
321.2090
IUPAC Name:
(3-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
InChI:
InChI=1S/C16H17BrO2/c1-10-7-13(8-11(2)16(10)19-3)15(18)12-5-4-6-14(17)9-12/h4-9,15,18H,1-3H3
InChI Key:
UVMAVRJJRWDGRS-UHFFFAOYSA-N
SMILES:
COc1c(C)cc(cc1C)C(c1cccc(c1)Br)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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