Basic information
- CAS
17929-31-6- Standard SMILES
O=c1oc2ccc(Cl)cc2n1CN1CCCC1- InChIKey
QDIJKTNDTUWSER-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2O2
- Average molar mass
- 252.69 g/mol
- Monoisotopic mass
- 252.0665554
Names & identifiers
- Preferred name
- 2(3H)-Benzoxazolone, 5-chloro-3-(1-pyrrolidinylmethyl)-
- IUPAC
- 5-chloro-3-(pyrrolidin-1-ylmethyl)-1,3-benzoxazol-2-one
Names & synonyms
BRN 11262512(3H)-BENZOXAZOLONE, 5-CHLORO-3-(1-PYRROLIDINYLMETHYL)-17929-31-6Pirolidynometylo-5-chloro-benzoksazolon-2 [Polish]Pirolidynometylo-5-chloro-benzoksazolon-25-Chloro-3-(1-pyrrolidinylmethyl)-2(3H)-benzoxazoloneDTXSID70170789RefChem:241527DTXCID3093280AKOS003938749Z574542885-Chloro-3-[(pyrrolidin-1-yl)methyl]-1,3-benzoxazol-2(3H)-one
Database identifiers
- CAS
17929-31-6- PubChem CID
- 28839
- DTXSID
DTXSID70170789
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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