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17817-99-1 | 2,6-Octadiene, 2,7-dichloro-
CAS No: 17817-99-1 Catalog No: AG0025TE MDL No:
Product Description
Catalog Number:
AG0025TE
Chemical Name:
2,6-Octadiene, 2,7-dichloro-
CAS Number:
17817-99-1
Molecular Formula:
C8H12Cl2
Molecular Weight:
179.0869
IUPAC Name:
2,7-dichloroocta-2,6-diene
InChI:
InChI=1S/C8H12Cl2/c1-7(9)5-3-4-6-8(2)10/h5-6H,3-4H2,1-2H3
InChI Key:
QEKBURKTKNUPJK-UHFFFAOYSA-N
SMILES:
CC(=CCCC=C(Cl)C)Cl
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.032g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.084g/mol
Monoisotopic Mass:
178.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.7
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