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113962-60-0 | Benzene, 1,1'-(1,4-dichloro-1,4-dimethyl-1,4-butanediyl)bis- (9CI)
CAS No: 113962-60-0 Catalog No: AG000A5X MDL No:
Product Description
Catalog Number:
AG000A5X
Chemical Name:
Benzene, 1,1'-(1,4-dichloro-1,4-dimethyl-1,4-butanediyl)bis- (9CI)
CAS Number:
113962-60-0
Molecular Formula:
C18H20Cl2
Molecular Weight:
307.2574
IUPAC Name:
(2,5-dichloro-5-phenylhexan-2-yl)benzene
InChI:
InChI=1S/C18H20Cl2/c1-17(19,15-9-5-3-6-10-15)13-14-18(2,20)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChI Key:
VOHCSANMDQDHTQ-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)(CCC(c1ccccc1)(Cl)C)Cl
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.258g/mol
Monoisotopic Mass:
306.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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