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139754-91-9 | Carbonochloridic acid, 1-(1-phenylcyclohexyl)-4-piperidinyl ester
CAS No: 139754-91-9 Catalog No: AG001BN2 MDL No:
Product Description
Catalog Number:
AG001BN2
Chemical Name:
Carbonochloridic acid, 1-(1-phenylcyclohexyl)-4-piperidinyl ester
CAS Number:
139754-91-9
Molecular Formula:
C18H24ClNO2
Molecular Weight:
321.8417
IUPAC Name:
[1-(1-phenylcyclohexyl)piperidin-4-yl] carbonochloridate
InChI:
InChI=1S/C18H24ClNO2/c19-17(21)22-16-9-13-20(14-10-16)18(11-5-2-6-12-18)15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14H2
InChI Key:
CFTPYNIWEMDFQC-UHFFFAOYSA-N
SMILES:
ClC(=O)OC1CCN(CC1)C1(CCCCC1)c1ccccc1
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.15g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.845g/mol
Monoisotopic Mass:
321.15g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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