1-(3-Chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
Basic information
- CAS
63674-94-2- Standard SMILES
Cc1c(Cl)cccc1N1CC(C(=O)O)CC1=O- InChIKey
QSGBFUZXYNNAON-UHFFFAOYSA-N- Molecular formula
- C12H12ClNO3
- Average molar mass
- 253.68 g/mol
- Monoisotopic mass
- 253.0505709
Names & identifiers
- Preferred name
- 1-(3-Chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
- IUPAC
- 1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
- English name
- 1-(3-CHLORO-2-METHYLPHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLIC ACID
- Molecular formula
- C12H12ClNO3
- Molecular weight
- 253.68
Names & synonyms
1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid63674-94-2MFCD014617643-Pyrrolidinecarboxylic acid, 1-(3-chloro-2-methylphenyl)-5-oxo-Enamine_001910Cambridge id 6921637Oprea1_095778Oprea1_563306AKOS BB-6998SCHEMBL24473740SCHEMBL30505324HMS1399G18
Show more names
3-pyrrolidinecarboxylic acid, 1-(3-chloro-2-methylphenyl)-
ALBB-0105611-(3-chloro-2-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylic acidSBB045175STL360285AKOS000124750AKOS016041018FC120414LS-03579
Database identifiers
- CAS
63674-94-2- PubChem CID
- 2918986
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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