2-Butenoic acid, 2,6-dichloro-4-nitrophenyl ester
Basic information
- CAS
64205-22-7- Standard SMILES
C/C=C/C(=O)Oc1c(Cl)cc([N+](=O)[O-])cc1Cl- InChIKey
OGBVVDUVBJFYNC-NSCUHMNNSA-N- Molecular formula
- C10H7Cl2NO4
- Average molar mass
- 276.07 g/mol
- Monoisotopic mass
- 274.9752131
Names & identifiers
- Preferred name
- 2-Butenoic acid, 2,6-dichloro-4-nitrophenyl ester
- IUPAC
- (2,6-dichloro-4-nitrophenyl) (E)-but-2-enoate
Names & synonyms
Bayer 60564BAY 605642-BUTENOIC ACID, 2,6-DICHLORO-4-NITROPHENYL ESTER64205-22-7RefChem:257915DTXSID7013388212-Butenoic acid 2,6-dichloro-4-nitrophenyl ester
Database identifiers
- CAS
64205-22-7- PubChem CID
- 6434869
- DTXSID
DTXSID701338821
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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