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85230-05-3 | Cyclohexanecarbonyl chloride, 4-(4-propylphenyl)-, trans-
CAS No: 85230-05-3 Catalog No: AG004Q8K MDL No:
Product Description
Catalog Number:
AG004Q8K
Chemical Name:
Cyclohexanecarbonyl chloride, 4-(4-propylphenyl)-, trans-
CAS Number:
85230-05-3
Molecular Formula:
C16H21ClO
Molecular Weight:
264.7903
IUPAC Name:
4-(4-propylphenyl)cyclohexane-1-carbonyl chloride
InChI:
InChI=1S/C16H21ClO/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h4-7,14-15H,2-3,8-11H2,1H3
InChI Key:
BZAQZVDKSWINPS-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)[C@@H]1CC[C@H](CC1)C(=O)Cl
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.128g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.793g/mol
Monoisotopic Mass:
264.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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