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149111-98-8 | [1,1'-Biphenyl]-3-ol, 2,2',4,4',6,6'-hexachloro-
CAS No: 149111-98-8 Catalog No: AG001LEU MDL No:
Product Description
Catalog Number:
AG001LEU
Chemical Name:
[1,1'-Biphenyl]-3-ol, 2,2',4,4',6,6'-hexachloro-
CAS Number:
149111-98-8
Molecular Formula:
C12H4Cl6O
Molecular Weight:
376.8776
IUPAC Name:
2,4,6-trichloro-3-(2,4,6-trichlorophenyl)phenol
InChI:
InChI=1S/C12H4Cl6O/c13-4-1-5(14)9(6(15)2-4)10-7(16)3-8(17)12(19)11(10)18/h1-3,19H
InChI Key:
UAPGRBIDGQSSGQ-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c(c(c1)Cl)c1c(Cl)cc(c(c1Cl)O)Cl
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.836g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.863g/mol
Monoisotopic Mass:
373.839g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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