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139678-12-9 | Bicyclo[10.2.0]tetradecan-13-one, 14,14-dichloro-
CAS No: 139678-12-9 Catalog No: AG001BHR MDL No:
Product Description
Catalog Number:
AG001BHR
Chemical Name:
Bicyclo[10.2.0]tetradecan-13-one, 14,14-dichloro-
CAS Number:
139678-12-9
Molecular Formula:
C14H22Cl2O
Molecular Weight:
277.2299
IUPAC Name:
14,14-dichlorobicyclo[10.2.0]tetradecan-13-one
InChI:
InChI=1S/C14H22Cl2O/c15-14(16)12-10-8-6-4-2-1-3-5-7-9-11(12)13(14)17/h11-12H,1-10H2
InChI Key:
CXBHEUPXMVQKKY-UHFFFAOYSA-N
SMILES:
O=C1C2CCCCCCCCCCC2C1(Cl)Cl
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.229g/mol
Monoisotopic Mass:
276.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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