Basic information
- CAS
215226-73-6- Standard SMILES
O=C(O)/C(Cl)=C(\CCl)C(Cl)Cl- InChIKey
FYUFQYDLNJTYNP-IHWYPQMZSA-N- Molecular formula
- C5H4Cl4O2
- Average molar mass
- 237.9 g/mol
- Monoisotopic mass
- 235.89654
Names & identifiers
- Preferred name
- 2,4,4-Trichloro-3-chloromethylbutenoic acid
- IUPAC
- (Z)-2,4,4-trichloro-3-(chloromethyl)but-2-enoic acid
Names & synonyms
2,4,4-Trichloro-3-chloromethylbutenoic acid215226-73-63-(Chloromethyl)-2,4,4-trichloro-2-butenoic acid2-Butenoic acid, 3-(chloromethyl)-2,4,4-trichloro-CCRIS 8231DTXSID5010307482,4,4-Trichloro-3-(chloromethyl)-2-butenoic acid
Database identifiers
- CAS
215226-73-6- PubChem CID
- 3036733
- DTXSID
DTXSID501030748
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 187
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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