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15880-12-3 | Heptane, 2,6-dichloro-
CAS No: 15880-12-3 Catalog No: AG001QVN MDL No:
Product Description
Catalog Number:
AG001QVN
Chemical Name:
Heptane, 2,6-dichloro-
CAS Number:
15880-12-3
Molecular Formula:
C7H14Cl2
Molecular Weight:
169.0921
IUPAC Name:
2,6-dichloroheptane
InChI:
InChI=1S/C7H14Cl2/c1-6(8)4-3-5-7(2)9/h6-7H,3-5H2,1-2H3
InChI Key:
OCZAASMLSBYXTR-UHFFFAOYSA-N
SMILES:
CC(CCCC(Cl)C)Cl
Properties
Complexity:
55.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.047g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.089g/mol
Monoisotopic Mass:
168.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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