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88725-11-5 | 3-Heptene, 2,6-dichloro-
CAS No: 88725-11-5 Catalog No: AG0045MW MDL No:
Product Description
Catalog Number:
AG0045MW
Chemical Name:
3-Heptene, 2,6-dichloro-
CAS Number:
88725-11-5
Molecular Formula:
C7H12Cl2
Molecular Weight:
167.0762
IUPAC Name:
2,6-dichlorohept-3-ene
InChI:
InChI=1S/C7H12Cl2/c1-6(8)4-3-5-7(2)9/h3-4,6-7H,5H2,1-2H3
InChI Key:
MSXNOYQRMDPMBK-UHFFFAOYSA-N
SMILES:
CC(CC=CC(Cl)C)Cl
Properties
Complexity:
88.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.032g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.073g/mol
Monoisotopic Mass:
166.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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