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Home > Fluorides > 115630-80-3
115630-80-3 | 2-Butenoyl chloride, 4,4,4-trifluoro-, (2E)-
CAS No: 115630-80-3 Catalog No: AG000GA3 MDL No:MFCD00092807
Product Description
Catalog Number:
AG000GA3
Chemical Name:
2-Butenoyl chloride, 4,4,4-trifluoro-, (2E)-
CAS Number:
115630-80-3
Molecular Formula:
C4H2ClF3O
Molecular Weight:
158.5063
MDL Number:
MFCD00092807
IUPAC Name:
4,4,4-trifluorobut-2-enoyl chloride
InChI:
InChI=1S/C4H2ClF3O/c5-3(9)1-2-4(6,7)8/h1-2H
InChI Key:
DUTDALJAKWGZSA-UHFFFAOYSA-N
SMILES:
ClC(=O)/C=C/C(F)(F)F
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.975g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.504g/mol
Monoisotopic Mass:
157.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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