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1352218-43-9 | 2-Chloro-1-(4-ethylphenyl)-2,2-difluoroethanone
CAS No: 1352218-43-9 Catalog No: AG01F9TB MDL No:
Product Description
Catalog Number:
AG01F9TB
Chemical Name:
2-Chloro-1-(4-ethylphenyl)-2,2-difluoroethanone
CAS Number:
1352218-43-9
Molecular Formula:
C10H9ClF2O
Molecular Weight:
218.6277
IUPAC Name:
2-chloro-1-(4-ethylphenyl)-2,2-difluoroethanone
InChI:
InChI=1S/C10H9ClF2O/c1-2-7-3-5-8(6-4-7)9(14)10(11,12)13/h3-6H,2H2,1H3
InChI Key:
XKMBLLYBNJPYDQ-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)C(=O)C(Cl)(F)F
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.628g/mol
Monoisotopic Mass:
218.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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