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Home > Bromides > 1443343-08-5
1443343-08-5 | 3-Bromo-3'-chloro-6'-methylbenzhydrol
CAS No: 1443343-08-5 Catalog No: AG01FD6H MDL No:
Product Description
Catalog Number:
AG01FD6H
Chemical Name:
3-Bromo-3'-chloro-6'-methylbenzhydrol
CAS Number:
1443343-08-5
Molecular Formula:
C14H12BrClO
Molecular Weight:
311.6015
IUPAC Name:
(3-bromophenyl)-(5-chloro-2-methylphenyl)methanol
InChI:
InChI=1S/C14H12BrClO/c1-9-5-6-12(16)8-13(9)14(17)10-3-2-4-11(15)7-10/h2-8,14,17H,1H3
InChI Key:
GIYQIEOSWKTKOR-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(c1cccc(c1)Br)O)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.976g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.603g/mol
Monoisotopic Mass:
309.976g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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