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13168-35-9 | Phenol, 4,4'-cyclohexylidenebis[2,6-dichloro-
CAS No: 13168-35-9 Catalog No: AG000ZL5 MDL No:
Product Description
Catalog Number:
AG000ZL5
Chemical Name:
Phenol, 4,4'-cyclohexylidenebis[2,6-dichloro-
CAS Number:
13168-35-9
Molecular Formula:
C18H16Cl4O2
Molecular Weight:
406.1304
IUPAC Name:
2,6-dichloro-4-[1-(3,5-dichloro-4-hydroxyphenyl)cyclohexyl]phenol
InChI:
InChI=1S/C18H16Cl4O2/c19-12-6-10(7-13(20)16(12)23)18(4-2-1-3-5-18)11-8-14(21)17(24)15(22)9-11/h6-9,23-24H,1-5H2
InChI Key:
ANLICCDGDIUHJE-UHFFFAOYSA-N
SMILES:
Clc1cc(cc(c1O)Cl)C1(CCCCC1)c1cc(Cl)c(c(c1)Cl)O
NSC Number:
15450
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.987g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
406.124g/mol
Monoisotopic Mass:
403.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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