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116044-19-0 | Cyclohexanecarbonyl chloride, 4-(octyloxy)-, trans-
CAS No: 116044-19-0 Catalog No: AG000BGT MDL No:
Product Description
Catalog Number:
AG000BGT
Chemical Name:
Cyclohexanecarbonyl chloride, 4-(octyloxy)-, trans-
CAS Number:
116044-19-0
Molecular Formula:
C15H27ClO2
Molecular Weight:
274.8267
IUPAC Name:
4-octoxycyclohexane-1-carbonyl chloride
InChI:
InChI=1S/C15H27ClO2/c1-2-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17/h13-14H,2-12H2,1H3
InChI Key:
KRPCBSWYKWVEQF-UHFFFAOYSA-N
SMILES:
CCCCCCCCO[C@@H]1CC[C@H](CC1)C(=O)Cl
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.17g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.829g/mol
Monoisotopic Mass:
274.17g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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