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87969-79-7 | Benzene, 2-chloro-1,3-dioctyl-
CAS No: 87969-79-7 Catalog No: AG004D24 MDL No:
Product Description
Catalog Number:
AG004D24
Chemical Name:
Benzene, 2-chloro-1,3-dioctyl-
CAS Number:
87969-79-7
Molecular Formula:
C22H37Cl
Molecular Weight:
336.9822
IUPAC Name:
2-chloro-1,3-dioctylbenzene
InChI:
InChI=1S/C22H37Cl/c1-3-5-7-9-11-13-16-20-18-15-19-21(22(20)23)17-14-12-10-8-6-4-2/h15,18-19H,3-14,16-17H2,1-2H3
InChI Key:
WGUIUCRYEVYOOV-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1cccc(c1Cl)CCCCCCCC
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.258g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.988g/mol
Monoisotopic Mass:
336.258g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.6
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