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101931-67-3 | 2-Pentanone, 4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)-
CAS No: 101931-67-3 Catalog No: AG000601 MDL No:
Product Description
Catalog Number:
AG000601
Chemical Name:
2-Pentanone, 4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)-
CAS Number:
101931-67-3
Molecular Formula:
C6H5ClF6O
Molecular Weight:
242.5467
IUPAC Name:
4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)pentan-2-one
InChI:
InChI=1S/C6H5ClF6O/c1-3(14)2-4(7,5(8,9)10)6(11,12)13/h2H2,1H3
InChI Key:
RHBJHTMRXIJSIX-UHFFFAOYSA-N
SMILES:
CC(=O)CC(C(F)(F)F)(C(F)(F)F)Cl
NSC Number:
160203
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.993g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.545g/mol
Monoisotopic Mass:
241.993g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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