Home Halogens 1-(adamantan-1-yl)-3-chloropropan-2-one

1-(adamantan-1-yl)-3-chloropropan-2-one

CAS No.:
26525-19-9
Catalog Number:
AG01BD4N
Molecular Formula:
C13H19ClO
Molecular Weight:
226.7424
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Product Description
Catalog Number:
AG01BD4N
Chemical Name:
1-(adamantan-1-yl)-3-chloropropan-2-one
CAS Number:
26525-19-9
Molecular Formula:
C13H19ClO
Molecular Weight:
226.7424
MDL Number:
MFCD07186483
IUPAC Name:
1-(1-adamantyl)-3-chloropropan-2-one
InChI:
InChI=1S/C13H19ClO/c14-8-12(15)7-13-4-9-1-10(5-13)3-11(2-9)6-13/h9-11H,1-8H2
InChI Key:
QPVCZVHBGHYCAS-UHFFFAOYSA-N
SMILES:
ClCC(=O)CC12CC3CC(C2)CC(C1)C3
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.112g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.744g/mol
Monoisotopic Mass:
226.112g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties