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79881-33-7 | [1,1'-Biphenyl]-4-ol,2',6'-dichloro-
CAS No: 79881-33-7 Catalog No: AG004ZEE MDL No:
Product Description
Catalog Number:
AG004ZEE
Chemical Name:
[1,1'-Biphenyl]-4-ol,2',6'-dichloro-
CAS Number:
79881-33-7
Molecular Formula:
C12H8Cl2O
Molecular Weight:
239.0973
IUPAC Name:
4-(2,6-dichlorophenyl)phenol
InChI:
InChI=1S/C12H8Cl2O/c13-10-2-1-3-11(14)12(10)8-4-6-9(15)7-5-8/h1-7,15H
InChI Key:
WJZSSXLAIVPJLA-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1c1ccc(cc1)O)Cl
UNII:
FF8K1OFR5M
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.995g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.095g/mol
Monoisotopic Mass:
237.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Metabolites of 2,2'-dichlorobiphenyl and 2,6-dichlorobiphenyl in hairy root culture of black nightshade Solanum nigrum SNC-9O. | Chemosphere 20121001 |
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