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89546-66-7 | Cyclohexene, 3-chloro-6-(1,1-dimethylethyl)-, cis-
CAS No: 89546-66-7 Catalog No: AG003YL1 MDL No:
Product Description
Catalog Number:
AG003YL1
Chemical Name:
Cyclohexene, 3-chloro-6-(1,1-dimethylethyl)-, cis-
CAS Number:
89546-66-7
Molecular Formula:
C10H17Cl
Molecular Weight:
172.6950
IUPAC Name:
3-tert-butyl-6-chlorocyclohexene
InChI:
InChI=1S/C10H17Cl/c1-10(2,3)8-4-6-9(11)7-5-8/h4,6,8-9H,5,7H2,1-3H3
InChI Key:
YQFJRMNAKMSOBV-UHFFFAOYSA-N
SMILES:
Cl[C@H]1CC[C@H](C=C1)C(C)(C)C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.102g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.696g/mol
Monoisotopic Mass:
172.102g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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