Basic information
- CAS
719282-09-4- Standard SMILES
CCCCNC(=O)Nc1ccc(Cl)c(C(=O)O)c1- InChIKey
WDOBAXONZNYLFW-UHFFFAOYSA-N- Molecular formula
- C12H15ClN2O3
- Average molar mass
- 270.71 g/mol
- Monoisotopic mass
- 270.07712
Names & identifiers
- Preferred name
- 5-(Butylcarbamoylamino)-2-chlorobenzoic acid
- IUPAC
- 5-(butylcarbamoylamino)-2-chlorobenzoic acid
- English name
- 5-{[(butylamino)carbonyl]amino}-2-chlorobenzoic acid
- Molecular formula
- C12H15ClN2O3
- Molecular weight
- 270.7121
Names & synonyms
5-[(butylcarbamoyl)amino]-2-chlorobenzoic acid5-(butylcarbamoylamino)-2-chlorobenzoic acidAQ-090/42240079STK205669AKOS005415881ST0344495-[(N-butylcarbamoyl)amino]-2-chlorobenzoic acid5-{[(butylamino)carbonyl]amino}-2-chlorobenzoic acid
Database identifiers
- CAS
719282-09-4- PubChem CID
- 1820084
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 299
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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