Anthranilic acid, 5-chloro-, butyl ester
Basic information
- CAS
18189-08-7- Standard SMILES
CCCCOC(=O)c1cc(Cl)ccc1N- InChIKey
VGPZVSACUNPIKT-UHFFFAOYSA-N- Molecular formula
- C11H14ClNO2
- Average molar mass
- 227.69 g/mol
- Monoisotopic mass
- 227.0713064
Names & identifiers
- Preferred name
- Anthranilic acid, 5-chloro-, butyl ester
- IUPAC
- butyl 2-amino-5-chlorobenzoate
Names & synonyms
Anthranilic acid, 5-chloro-, butyl ester18189-08-7butyl 2-amino-5-chlorobenzoate5-chloroanthranilic acid-n-butyl esterSCHEMBL11506341DTXSID50171214VGPZVSACUNPIKT-UHFFFAOYSA-NAKOS000299168
Database identifiers
- CAS
18189-08-7- PubChem CID
- 140347
- DTXSID
DTXSID50171214
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Related reactions
1 records
Compound notes
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