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86436-19-3 | 2,4-Hexadiyne-1,6-diol,1,6-bis(2-chlorophenyl)-1,6-diphenyl-, [R-(R*,R*)]- (9CI)
CAS No: 86436-19-3 Catalog No: AG004QV4 MDL No:
Product Description
Catalog Number:
AG004QV4
Chemical Name:
2,4-Hexadiyne-1,6-diol,1,6-bis(2-chlorophenyl)-1,6-diphenyl-, [R-(R*,R*)]- (9CI)
CAS Number:
86436-19-3
Molecular Formula:
C30H20Cl2O2
Molecular Weight:
483.3846
IUPAC Name:
1,6-bis(2-chlorophenyl)-1,6-diphenylhexa-2,4-diyne-1,6-diol
InChI:
InChI=1S/C30H20Cl2O2/c31-27-19-9-7-17-25(27)29(33,23-13-3-1-4-14-23)21-11-12-22-30(34,24-15-5-2-6-16-24)26-18-8-10-20-28(26)32/h1-10,13-20,33-34H
InChI Key:
CJETXAUUVYDHTN-UHFFFAOYSA-N
SMILES:
Clc1ccccc1C(c1ccccc1)(C#CC#CC(c1ccccc1Cl)(c1ccccc1)O)O
Properties
Complexity:
735
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
482.084g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
483.388g/mol
Monoisotopic Mass:
482.084g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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