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1443328-85-5 | 2,4-Difluorophenyl cycloheptyl ketone
CAS No: 1443328-85-5 Catalog No: AG01FD5K MDL No:
Product Description
Catalog Number:
AG01FD5K
Chemical Name:
2,4-Difluorophenyl cycloheptyl ketone
CAS Number:
1443328-85-5
Molecular Formula:
C14H16F2O
Molecular Weight:
238.2730
IUPAC Name:
cycloheptyl-(2,4-difluorophenyl)methanone
InChI:
InChI=1S/C14H16F2O/c15-11-7-8-12(13(16)9-11)14(17)10-5-3-1-2-4-6-10/h7-10H,1-6H2
InChI Key:
BZVULKFSSYRSTI-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)F)C(=O)C1CCCCCC1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.117g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.278g/mol
Monoisotopic Mass:
238.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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