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115851-44-0 | Cyclopentanone, 2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-
CAS No: 115851-44-0 Catalog No: AG000GZ1 MDL No:
Product Description
Catalog Number:
AG000GZ1
Chemical Name:
Cyclopentanone, 2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-
CAS Number:
115851-44-0
Molecular Formula:
C15H19ClO
Molecular Weight:
250.7638
IUPAC Name:
2-[(4-chlorophenyl)methyl]-5-propan-2-ylcyclopentan-1-one
InChI:
InChI=1S/C15H19ClO/c1-10(2)14-8-5-12(15(14)17)9-11-3-6-13(16)7-4-11/h3-4,6-7,10,12,14H,5,8-9H2,1-2H3
InChI Key:
VJZOMMAKBUSHJY-UHFFFAOYSA-N
SMILES:
CC(C1CCC(C1=O)Cc1ccc(cc1)Cl)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.112g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.766g/mol
Monoisotopic Mass:
250.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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