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101931-61-7 | 2-Pentanol, 4,4-dichloro-1,1,1-trifluoro-2-(trifluoromethyl)-
CAS No: 101931-61-7 Catalog No: AG000603 MDL No:
Product Description
Catalog Number:
AG000603
Chemical Name:
2-Pentanol, 4,4-dichloro-1,1,1-trifluoro-2-(trifluoromethyl)-
CAS Number:
101931-61-7
Molecular Formula:
C6H6Cl2F6O
Molecular Weight:
279.0077
IUPAC Name:
4,4-dichloro-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol
InChI:
InChI=1S/C6H6Cl2F6O/c1-3(7,8)2-4(15,5(9,10)11)6(12,13)14/h15H,2H2,1H3
InChI Key:
QLVOOYXXQZSRGC-UHFFFAOYSA-N
SMILES:
CC(CC(C(F)(F)F)(C(F)(F)F)O)(Cl)Cl
NSC Number:
160202
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.97g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.003g/mol
Monoisotopic Mass:
277.97g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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