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88250-28-6 | [1,1'-Biphenyl]ol, heptachloro-
CAS No: 88250-28-6 Catalog No: AG004CTS MDL No:
Product Description
Catalog Number:
AG004CTS
Chemical Name:
[1,1'-Biphenyl]ol, heptachloro-
CAS Number:
88250-28-6
Molecular Formula:
C12H3Cl7O
Molecular Weight:
411.3226
IUPAC Name:
2,3-dichloro-6-(2,3,4,5,6-pentachlorophenyl)phenol
InChI:
InChI=1S/C12H3Cl7O/c13-4-2-1-3(12(20)6(4)14)5-7(15)9(17)11(19)10(18)8(5)16/h1-2,20H
InChI Key:
NYRYGVNLGOSJDY-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1Cl)O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.797g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
411.305g/mol
Monoisotopic Mass:
407.8g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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