Completing data — usually done within a minute
Basic information
- CAS
171569-37-2- Standard SMILES
CC(C)(CO)C(=O)NCc1ccccc1Cl- InChIKey
TWJXCDFCKPEPHD-UHFFFAOYSA-N- Molecular formula
- C12H16ClNO2
- Average molar mass
- 241.71 g/mol
- Monoisotopic mass
- 241.08695643
Names & identifiers
- Preferred name
- N-(2-chlorobenzyl)-3-hydroxy-2,2-dimethylpropanamide
- IUPAC
- N-[(2-chlorophenyl)methyl]-3-hydroxy-2,2-dimethylpropanamide
Names & synonyms
171569-37-2N-(2-chlorobenzyl)-3-hydroxy-2,2-dimethylpropanamideClomazone metabolite FMC 65317N-[(2-chlorophenyl)methyl]-3-hydroxy-2,2-dimethylpropanamideN-[(2-Chlorobenzyl)]-3-Hydroxy-2,2-dimethylpropanamideSCHEMBL4994370TWJXCDFCKPEPHD-UHFFFAOYSA-NDTXSID501348452A1-14527
Database identifiers
- CAS
171569-37-2- PubChem CID
- 59778447
- DTXSID
DTXSID501348452- Nikkaji
- J719.370J
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 243
Chemistry & industry
Suppliers3 total
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
重庆福腾医药有限公司18696571988 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
7 records
Compound notes
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