Basic information
- CAS
62093-65-6- Standard SMILES
COC(=O)C(Cl)CCCl- InChIKey
MIXXUSQBRXDJHD-UHFFFAOYSA-N- Molecular formula
- C5H8Cl2O2
- Average molar mass
- 171.02 g/mol
- Monoisotopic mass
- 169.9901349
Names & identifiers
- Preferred name
- Methyl 2,4-dichlorobutanoate
- IUPAC
- methyl 2,4-dichlorobutanoate
- English name
- Butanoic acid, 2,4-dichloro-, methyl ester
- Molecular formula
- C5H8Cl2O2
- Molecular weight
- 171.02
Names & synonyms
Methyl 2,4-dichlorobutanoate62093-65-62,4-Dichlorobutanoic acid, methyl esterDTXSID60338270RefChem:353645DTXCID40289357MIXXUSQBRXDJHD-UHFFFAOYSA-NSCHEMBL7066443Ethyl Acetate Impurity 15Butanoic acid, 2,4-dichloro-, methyl ester
Database identifiers
- CAS
62093-65-6- PubChem CID
- 548008
- DTXSID
DTXSID60338270- Nikkaji
- J254.373G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 95
Chemistry & industry
Suppliers3 total
江苏智芯廷科技有限公司18221391031 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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