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87969-82-2 | Benzene, 1,3-dichloro-5-hexyl-
CAS No: 87969-82-2 Catalog No: AG004FWH MDL No:
Product Description
Catalog Number:
AG004FWH
Chemical Name:
Benzene, 1,3-dichloro-5-hexyl-
CAS Number:
87969-82-2
Molecular Formula:
C12H16Cl2
Molecular Weight:
231.1614
IUPAC Name:
1,3-dichloro-5-hexylbenzene
InChI:
InChI=1S/C12H16Cl2/c1-2-3-4-5-6-10-7-11(13)9-12(14)8-10/h7-9H,2-6H2,1H3
InChI Key:
OUHJHMFOJKZEPX-UHFFFAOYSA-N
SMILES:
CCCCCCc1cc(Cl)cc(c1)Cl
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.16g/mol
Monoisotopic Mass:
230.063g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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