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157667-28-2 | Bicyclo[6.4.1]trideca-8,11,13-trien-10-one, 13-chloro-
CAS No: 157667-28-2 Catalog No: AG001PLL MDL No:
Product Description
Catalog Number:
AG001PLL
Chemical Name:
Bicyclo[6.4.1]trideca-8,11,13-trien-10-one, 13-chloro-
CAS Number:
157667-28-2
Molecular Formula:
C13H15ClO
Molecular Weight:
222.7106
IUPAC Name:
13-chlorobicyclo[6.4.1]trideca-1(13),8,11-trien-10-one
InChI:
InChI=1S/C13H15ClO/c14-13-10-5-3-1-2-4-6-11(13)9-12(15)8-7-10/h7-9H,1-6H2
InChI Key:
IJAJWAHYCLQUFR-UHFFFAOYSA-N
SMILES:
O=c1ccc2c(c(c1)CCCCCC2)Cl
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.712g/mol
Monoisotopic Mass:
222.081g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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