| CAS Number | 60180-62-3 |
| Catalog Number | AG01BJ2Z(AGN-PC-0NCAC7) |
| Chemical Name | Methyl 2,3-dichloro-3-oxopropanoate |
| IUPAC Name | methyl 2,3-dichloro-3-oxopropanoate |
| InChI | InChI=1S/C4H4Cl2O3/c1-9-4(8)2(5)3(6)7/h2H,1H3 |
| InChI Key | VGLAESBBSQCKBP-UHFFFAOYSA-N |
| MDL Number | MFCD20623164 |
| Molecular Formula | C4H4Cl2O3 |
| Molecular Weight | 170.9788 |
| SMILES | COC(C(C(Cl)=O)Cl)=O |
| Synonyms | methyl 2,3-dichloro-3-oxopropanoate,
60180-62-3,
Propanoic acid, 2,3-dichloro-3-oxo-, methyl ester,
SCHEMBL4110912,
VGLAESBBSQCKBP-UHFFFAOYSA-N,
MFCD20623164,
Methyl 2,3-dichloro-3-oxo-propanoic acid,
Methyl 2,3-dichloro-3-oxo-propanoate,
CID10888353,
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| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.973g/mol |
| Monoisotopic Mass | 169.954g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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