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1226317-15-2

1226317-15-2 | 4-Bromo-3'-chlorobenzhydrol

CAS No: 1226317-15-2 Catalog No: AG01FFDF MDL No:

Product Description

Catalog Number:
AG01FFDF
Chemical Name:
4-Bromo-3'-chlorobenzhydrol
CAS Number:
1226317-15-2
Molecular Formula:
C13H10BrClO
Molecular Weight:
297.5749
IUPAC Name:
(4-bromophenyl)-(3-chlorophenyl)methanol
InChI:
InChI=1S/C13H10BrClO/c14-11-6-4-9(5-7-11)13(16)10-2-1-3-12(15)8-10/h1-8,13,16H
InChI Key:
PCUWWDUHGPKMSG-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(c1cccc(c1)Cl)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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