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1443302-83-7 | 2-Chloro-4-fluorophenyl cycloheptyl ketone
CAS No: 1443302-83-7 Catalog No: AG01FBAO MDL No:
Product Description
Catalog Number:
AG01FBAO
Chemical Name:
2-Chloro-4-fluorophenyl cycloheptyl ketone
CAS Number:
1443302-83-7
Molecular Formula:
C14H16ClFO
Molecular Weight:
254.7276
IUPAC Name:
(2-chloro-4-fluorophenyl)-cycloheptylmethanone
InChI:
InChI=1S/C14H16ClFO/c15-13-9-11(16)7-8-12(13)14(17)10-5-3-1-2-4-6-10/h7-10H,1-6H2
InChI Key:
HGSKVCBIWQYSMT-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)Cl)C(=O)C1CCCCCC1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.729g/mol
Monoisotopic Mass:
254.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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