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4091-39-8 | 1-Acetyl-1-Chloroethane
CAS No: 4091-39-8 Catalog No: AG003DW5 MDL No:MFCD00000865
Product Description
Catalog Number:
AG003DW5
Chemical Name:
1-Acetyl-1-Chloroethane
CAS Number:
4091-39-8
Molecular Formula:
C4H7ClO
Molecular Weight:
106.5508
MDL Number:
MFCD00000865
IUPAC Name:
3-chlorobutan-2-one
InChI:
InChI=1S/C4H7ClO/c1-3(5)4(2)6/h3H,1-2H3
InChI Key:
OIMRLHCSLQUXLL-UHFFFAOYSA-N
SMILES:
CC(=O)C(Cl)C
EC Number:
223-834-9
Properties
Complexity:
60.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
106.019g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
106.549g/mol
Monoisotopic Mass:
106.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Products and mechanism of the reaction of Cl with butanone in N2/O2 diluent at 297-526 K. | The journal of physical chemistry. A 20090319 |
| Enantiomerization study of some alpha-nitroketones by dynamic high-resolution gas chromatography. | The Journal of organic chemistry 20030418 |
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