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1443354-45-7 | 4-Chloro-2,5-difluorophenyl cyclopentyl ketone
CAS No: 1443354-45-7 Catalog No: AG01FA56 MDL No:
Product Description
Catalog Number:
AG01FA56
Chemical Name:
4-Chloro-2,5-difluorophenyl cyclopentyl ketone
CAS Number:
1443354-45-7
Molecular Formula:
C12H11ClF2O
Molecular Weight:
244.6649
IUPAC Name:
(4-chloro-2,5-difluorophenyl)-cyclopentylmethanone
InChI:
InChI=1S/C12H11ClF2O/c13-9-6-10(14)8(5-11(9)15)12(16)7-3-1-2-4-7/h5-7H,1-4H2
InChI Key:
BKFMNQJNEKOGLI-UHFFFAOYSA-N
SMILES:
O=C(c1cc(F)c(cc1F)Cl)C1CCCC1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.047g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.666g/mol
Monoisotopic Mass:
244.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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