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4755-81-1 | Methyl 2-chloro-3-oxobutanoate
CAS No: 4755-81-1 Catalog No: AG003RNH MDL No:MFCD00008757
Product Description
Catalog Number:
AG003RNH
Chemical Name:
Methyl 2-chloro-3-oxobutanoate
CAS Number:
4755-81-1
Molecular Formula:
C5H7ClO3
Molecular Weight:
150.5603
MDL Number:
MFCD00008757
IUPAC Name:
methyl 2-chloro-3-oxobutanoate
InChI:
InChI=1S/C5H7ClO3/c1-3(7)4(6)5(8)9-2/h4H,1-2H3
InChI Key:
GYQRIAVRKLRQKP-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)C)Cl
EC Number:
225-286-6
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.008g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.558g/mol
Monoisotopic Mass:
150.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| 1-Chloro-1-[(4-meth-oxy-phen-yl)hydrazinyl-idene]propan-2-one. | Acta crystallographica. Section E, Structure reports online 20110801 |
| 1-Chloro-1-[(4-chloro-phen-yl)hydrazinyl-idene]propan-2-one. | Acta crystallographica. Section E, Structure reports online 20110801 |
| 1-Chloro-1-[(4-nitro-phen-yl)hydrazinyl-idene]propan-2-one. | Acta crystallographica. Section E, Structure reports online 20110801 |
| 1-Chloro-1-[(4-methyl-phen-yl)hydrazinyl-idene]propan-2-one. | Acta crystallographica. Section E, Structure reports online 20110801 |
| Chemoselective arylamidine cyclizations: mild formation of 2-arylimidazole-4-carboxylic acids. | Organic letters 20050818 |
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