4,4',4''-Nitrilotribenzoyl chloride
Basic information
- CAS
118996-39-7- Standard SMILES
O=C(Cl)c1ccc(N(c2ccc(C(=O)Cl)cc2)c2ccc(C(=O)Cl)cc2)cc1- InChIKey
UJQRSXAFPZCJQO-UHFFFAOYSA-N- Molecular formula
- C21H12Cl3NO3
- Average molar mass
- 432.7 g/mol
- Monoisotopic mass
- 430.988276
Names & identifiers
- Preferred name
- 4,4',4''-Nitrilotribenzoyl chloride
- IUPAC
- 4-(4-carbonochloridoyl-N-(4-carbonochloridoylphenyl)anilino)benzoyl chloride
Names & synonyms
DTXSID0012967834,4',4''-Nitrilotribenzoyl chloride4,4a(2),4a(2)a(2)-Nitrilotris[benzoyl chloride]118996-39-7
Database identifiers
- CAS
118996-39-7- PubChem CID
- 85580863
- DTXSID
DTXSID001296783
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 495
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Compound notes
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