Basic information
- CAS
1261981-71-8- Standard SMILES
CC(C)(C)OC(=O)Nc1ccc(-c2ccc(Cl)c(C(=O)O)c2)cc1- InChIKey
PUXCDFQBTHVAGR-UHFFFAOYSA-N- Molecular formula
- C18H18ClNO4
- Average molar mass
- 347.8 g/mol
- Monoisotopic mass
- 347.0924357
Names & identifiers
- Preferred name
- 5-(4-BOC-Aminophenyl)-2-chlorobenzoic acid
- IUPAC
- 2-chloro-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid
Names & synonyms
1261981-71-8MFCD18323096DTXSID9011273872-chloro-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid5-(4-BOC-Aminophenyl)-2-chlorobenzoic acid, 95%5-[4-(tert-butoxycarbonylamino)phenyl]-2-chloro-benzoic acid4'-[(tert-Butoxycarbonyl)amino]-4-chloro[1,1'-biphenyl]-3-carboxylic acid[1,1a(2)-Biphenyl]-3-carboxylic acid, 4-chloro-4a(2)-[[(1,1-dimethylethoxy)carbonyl]amino]-
Database identifiers
- CAS
1261981-71-8- PubChem CID
- 53228917
- DTXSID
DTXSID901127387
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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