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140242-43-9 | Butenoyl chloride (9CI)
CAS No: 140242-43-9 Catalog No: AG001C7H MDL No:
Product Description
Catalog Number:
AG001C7H
Chemical Name:
Butenoyl chloride (9CI)
CAS Number:
140242-43-9
Molecular Formula:
C4H5ClO
Molecular Weight:
104.5349
IUPAC Name:
but-2-enoyl chloride
InChI:
InChI=1S/C4H5ClO/c1-2-3-4(5)6/h2-3H,1H3
InChI Key:
RJUIDDKTATZJFE-UHFFFAOYSA-N
SMILES:
CC=CC(=O)Cl
Properties
Complexity:
75.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.003g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
104.533g/mol
Monoisotopic Mass:
104.003g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Homolytic fragmentation of allyloxychlorocarbene. | Organic letters 20050512 |
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