Basic information
- CAS
5457-71-6- Standard SMILES
O=C(CCl)OCc1ccc2c(c1)OCO2- InChIKey
OOLGQDFBONNDEU-UHFFFAOYSA-N- Molecular formula
- C10H9ClO4
- Average molar mass
- 228.63 g/mol
- Monoisotopic mass
- 228.0189365
Names & identifiers
- Preferred name
- (2H-1,3-Benzodioxol-5-yl)methyl chloroacetate
- IUPAC
- 1,3-benzodioxol-5-ylmethyl 2-chloroacetate
- English name
- benzo[1,3]dioxol-5-ylmethyl 2-chloroacetate
- Molecular formula
- C10H9ClO4
- Molecular weight
- 228.63
Names & synonyms
5457-71-6NSC23951(2H-1,3-Benzodioxol-5-yl)methyl chloroacetateDTXSID00282046NSC-23951AKOS000100794benzo[1,3]dioxol-5-ylmethyl 2-chloroacetateAcetic acid, 2-chloro-, 1,3-benzodioxol-5-ylmethyl ester
Database identifiers
- CAS
5457-71-6- PubChem CID
- 229889
- DTXSID
DTXSID00282046
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 233
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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