Basic information
- Standard SMILES
CC(C)OC(=O)c1cc(N)ccc1Cl- InChIKey
XEHDGJHIPJRFLH-UHFFFAOYSA-N- Molecular formula
- C10H12ClNO2
- Average molar mass
- 213.66 g/mol
Names & identifiers
- Preferred name
- Isopropyl 5-amino-2-chlorobenzoate
- IUPAC
- propan-2-yl 5-amino-2-chlorobenzoate
Names & synonyms
isopropyl 5-amino-2-chlorobenzoate86819-50-3propan-2-yl 5-amino-2-chlorobenzoateBenzoic acid, 5-amino-2-chloro-, 1-methylethyl esterMFCD05133182NSC641455Isopropyl-5-amino-2-chlorobenzoateisopropyl 5-amino-2-chloro-benzoateSCHEMBL1274929XEHDGJHIPJRFLH-UHFFFAOYSA-NAKOS000113006NSC-641455
Show more names
SB787181-Methylethyl 5-amino-2-chlorobenzoate1-Methylethyl 5-amino-2-chloro-benzoateISOPROPYL5-AMINO-2-CHLOROBENZOATEVS-097445-Amino-2-chlorobenzoic acid isopropyl esterCS-03128145-Amino-2-chloro-benzoic acid isopropyl ester
Database identifiers
- PubChem CID
- 369590
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 208
Related reactions
21 records
Linked notes
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