Basic information
- CAS
58991-40-5- Standard SMILES
Nc1c(Cl)cc(C(=O)Cl)cc1Cl- InChIKey
ICZKDMJNSMQIFY-UHFFFAOYSA-N- Molecular formula
- C7H4Cl3NO
- Average molar mass
- 224.5 g/mol
- Monoisotopic mass
- 222.935847
Names & identifiers
- Preferred name
- 4-Amino-3,5-dichlorobenzoyl chloride
- IUPAC
- 4-amino-3,5-dichlorobenzoyl chloride
- English name
- 4-AMino-3,5-dichlorobenzoyl chloride
- Molecular formula
- C7H4Cl3NO
- Molecular weight
- 224.47176
Names & synonyms
4-Amino-3,5-dichlorobenzoyl chloride58991-40-5DTXSID80593203RefChem:289875DTXCID005439673,5-dichloro-4-aminobenzoyl chlorideSCHEMBL3002757ICZKDMJNSMQIFY-UHFFFAOYSA-NDB-412220
Database identifiers
- CAS
58991-40-5- PubChem CID
- 18371997
- DTXSID
DTXSID80593203- Nikkaji
- J1.391.826K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 175
Related reactions
1 records
Compound notes
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