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944537-06-8 | 4-Bromo-3'-methylbenzhydrol
CAS No: 944537-06-8 Catalog No: AG01EZIA MDL No:
Product Description
Catalog Number:
AG01EZIA
Chemical Name:
4-Bromo-3'-methylbenzhydrol
CAS Number:
944537-06-8
Molecular Formula:
C14H13BrO
Molecular Weight:
277.1564
IUPAC Name:
(4-bromophenyl)-(3-methylphenyl)methanol
InChI:
InChI=1S/C14H13BrO/c1-10-3-2-4-12(9-10)14(16)11-5-7-13(15)8-6-11/h2-9,14,16H,1H3
InChI Key:
UKLHVCVSCLGKJJ-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(c1cccc(c1)C)O
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.015g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.161g/mol
Monoisotopic Mass:
276.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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