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1422-33-9 | 1,3-Pentadiene, 5,5,5-trifluoro-4-(trifluoromethyl)-
CAS No: 1422-33-9 Catalog No: AG001HYH MDL No:
Product Description
Catalog Number:
AG001HYH
Chemical Name:
1,3-Pentadiene, 5,5,5-trifluoro-4-(trifluoromethyl)-
CAS Number:
1422-33-9
Molecular Formula:
C6H4F6
Molecular Weight:
190.0864
IUPAC Name:
5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene
InChI:
InChI=1S/C6H4F6/c1-2-3-4(5(7,8)9)6(10,11)12/h2-3H,1H2
InChI Key:
WWAKYXYJMRXUKE-UHFFFAOYSA-N
SMILES:
C=CC=C(C(F)(F)F)C(F)(F)F
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.088g/mol
Monoisotopic Mass:
190.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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