N-3-Chlorophenylanthranilic acid
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Basic information
- CAS
22394-36-1- Standard SMILES
O=C(O)c1cc(Cl)ccc1N=Cc1c[nH]c2ccccc12- InChIKey
AOUDELCVHFNPNB-UHFFFAOYSA-N- Molecular formula
- C16H11ClN2O2
- Average molar mass
- 298.72 g/mol
- Monoisotopic mass
- 298.0509053
Names & identifiers
- Preferred name
- N-3-Chlorophenylanthranilic acid
- IUPAC
- 5-chloro-2-(1H-indol-3-ylmethylideneamino)benzoic acid
- English name
- 5-Chloro-2-(1H-indol-3-ylmethyleneamino)benzoic acid
- Molecular formula
- C16H11ClN2O2
- Molecular weight
- 298.72
Names & synonyms
N-3-Chlorophenylanthranilic acidBRN 14860102-(Indol-3-ylmethylene)-5-chloroanthranilic acidAnthranilic acid, 5-chloro-N-(indol-3-ylmethylene)-5-Chloro-2-(1H-indol-3-ylmethyleneamino)benzoic acid
Database identifiers
- CAS
22394-36-1- PubChem CID
- 211141
- Nikkaji
- J55.252F
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 415
Physicochemical properties
- Boiling point
- 594.437 · 594.437±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.371 · 1.371±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.456 · 2.456±0.36(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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