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Home > Fluorides > 1092349-84-2
1092349-84-2 | 4-tert-Butylpentafluoroethylbenzene
CAS No: 1092349-84-2 Catalog No: AG01FDPP MDL No:MFCD11041190
Product Description
Catalog Number:
AG01FDPP
Chemical Name:
4-tert-Butylpentafluoroethylbenzene
CAS Number:
1092349-84-2
Molecular Formula:
C12H13F5
Molecular Weight:
252.2236
MDL Number:
MFCD11041190
IUPAC Name:
1-tert-butyl-4-(1,1,2,2,2-pentafluoroethyl)benzene
InChI:
InChI=1S/C12H13F5/c1-10(2,3)8-4-6-9(7-5-8)11(13,14)12(15,16)17/h4-7H,1-3H3
InChI Key:
VMUFPPKNBTYSBF-UHFFFAOYSA-N
SMILES:
FC(C(c1ccc(cc1)C(C)(C)C)(F)F)(F)F
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.094g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.228g/mol
Monoisotopic Mass:
252.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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