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96223-08-4 | 3-Bromo-4'-chlorobenzhydrol
CAS No: 96223-08-4 Catalog No: AG01F07M MDL No:
Product Description
Catalog Number:
AG01F07M
Chemical Name:
3-Bromo-4'-chlorobenzhydrol
CAS Number:
96223-08-4
Molecular Formula:
C13H10BrClO
Molecular Weight:
297.5749
IUPAC Name:
(3-bromophenyl)-(4-chlorophenyl)methanol
InChI:
InChI=1S/C13H10BrClO/c14-11-3-1-2-10(8-11)13(16)9-4-6-12(15)7-5-9/h1-8,13,16H
InChI Key:
ABSGBZHTEINMGD-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(c1cccc(c1)Br)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.96g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.576g/mol
Monoisotopic Mass:
295.96g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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