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76854-99-4 | Cyclohexene, 1-chloro-2-(chloromethyl)-
CAS No: 76854-99-4 Catalog No: AG005HJG MDL No:
Product Description
Catalog Number:
AG005HJG
Chemical Name:
Cyclohexene, 1-chloro-2-(chloromethyl)-
CAS Number:
76854-99-4
Molecular Formula:
C7H10Cl2
Molecular Weight:
165.0603
IUPAC Name:
1-chloro-2-(chloromethyl)cyclohexene
InChI:
InChI=1S/C7H10Cl2/c8-5-6-3-1-2-4-7(6)9/h1-5H2
InChI Key:
QFSIYBKKWWBIRL-UHFFFAOYSA-N
SMILES:
ClCC1=C(Cl)CCCC1
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.016g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.057g/mol
Monoisotopic Mass:
164.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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