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84855-56-1 | Cyclohexanecarbonylchloride, 4-(1-methylpropyl)-, cis-
CAS No: 84855-56-1 Catalog No: AG004MPK MDL No:
Product Description
Catalog Number:
AG004MPK
Chemical Name:
Cyclohexanecarbonylchloride, 4-(1-methylpropyl)-, cis-
CAS Number:
84855-56-1
Molecular Formula:
C11H19ClO
Molecular Weight:
202.7210
IUPAC Name:
4-butan-2-ylcyclohexane-1-carbonyl chloride
InChI:
InChI=1S/C11H19ClO/c1-3-8(2)9-4-6-10(7-5-9)11(12)13/h8-10H,3-7H2,1-2H3
InChI Key:
ZWIPVUGICGZIAU-UHFFFAOYSA-N
SMILES:
CCC([C@@H]1CC[C@@H](CC1)C(=O)Cl)C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.112g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.722g/mol
Monoisotopic Mass:
202.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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