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1094440-07-9 | 2,5-Difluorophenyl cyclopentyl ketone
CAS No: 1094440-07-9 Catalog No: AG01FCVH MDL No:
Product Description
Catalog Number:
AG01FCVH
Chemical Name:
2,5-Difluorophenyl cyclopentyl ketone
CAS Number:
1094440-07-9
Molecular Formula:
C12H12F2O
Molecular Weight:
210.2199
IUPAC Name:
cyclopentyl-(2,5-difluorophenyl)methanone
InChI:
InChI=1S/C12H12F2O/c13-9-5-6-11(14)10(7-9)12(15)8-3-1-2-4-8/h5-8H,1-4H2
InChI Key:
ISNVWEJBMXQMEJ-UHFFFAOYSA-N
SMILES:
O=C(c1cc(F)ccc1F)C1CCCC1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.086g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.224g/mol
Monoisotopic Mass:
210.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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