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191591-40-9 | 2-Butene, 2,4-dichloro-1,1,1-trifluoro-
CAS No: 191591-40-9 Catalog No: AG002FC4 MDL No:
Product Description
Catalog Number:
AG002FC4
Chemical Name:
2-Butene, 2,4-dichloro-1,1,1-trifluoro-
CAS Number:
191591-40-9
Molecular Formula:
C4H3Cl2F3
Molecular Weight:
178.9678
IUPAC Name:
2,4-dichloro-1,1,1-trifluorobut-2-ene
InChI:
InChI=1S/C4H3Cl2F3/c5-2-1-3(6)4(7,8)9/h1H,2H2
InChI Key:
RVSSLUWZDPLQCP-UHFFFAOYSA-N
SMILES:
ClCC=C(C(F)(F)F)Cl
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.956g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.963g/mol
Monoisotopic Mass:
177.956g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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