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14115-45-8 | Butane, 1,1,1-trifluoro-4-iodo-2,2-bis(trifluoromethyl)-
CAS No: 14115-45-8 Catalog No: AG001G0B MDL No:MFCD00077611
Product Description
Catalog Number:
AG001G0B
Chemical Name:
Butane, 1,1,1-trifluoro-4-iodo-2,2-bis(trifluoromethyl)-
CAS Number:
14115-45-8
Molecular Formula:
C6H4F9I
Molecular Weight:
373.9861
MDL Number:
MFCD00077611
IUPAC Name:
1,1,1-trifluoro-4-iodo-2,2-bis(trifluoromethyl)butane
InChI:
InChI=1S/C6H4F9I/c7-4(8,9)3(1-2-16,5(10,11)12)6(13,14)15/h1-2H2
InChI Key:
GKBGDCARGTVCJU-UHFFFAOYSA-N
SMILES:
ICCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.921g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.988g/mol
Monoisotopic Mass:
373.921g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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