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1443312-93-3 | 2-Bromo-3',5'-dichlorobenzhydrol
CAS No: 1443312-93-3 Catalog No: AG01FEPK MDL No:
Product Description
Catalog Number:
AG01FEPK
Chemical Name:
2-Bromo-3',5'-dichlorobenzhydrol
CAS Number:
1443312-93-3
Molecular Formula:
C13H9BrCl2O
Molecular Weight:
332.0200
IUPAC Name:
(2-bromophenyl)-(3,5-dichlorophenyl)methanol
InChI:
InChI=1S/C13H9BrCl2O/c14-12-4-2-1-3-11(12)13(17)8-5-9(15)7-10(16)6-8/h1-7,13,17H
InChI Key:
YPGXZPPLMZSTQP-UHFFFAOYSA-N
SMILES:
Clc1cc(cc(c1)Cl)C(c1ccccc1Br)O
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.921g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.018g/mol
Monoisotopic Mass:
329.921g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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