Basic information
- CAS
104029-63-2- Standard SMILES
CNC(=O)OC(c1nc2ccccc2o1)c1c(F)cccc1Cl- InChIKey
VOIFAXGDFCRJPP-UHFFFAOYSA-N- Molecular formula
- C16H12ClFN2O3
- Average molar mass
- 334.73 g/mol
- Monoisotopic mass
- 334.0520481
Names & identifiers
- Preferred name
- (1,3-Benzoxazol-2-yl)(2-chloro-6-fluorophenyl)methyl N-methylcarbamate
- IUPAC
- [1,3-benzoxazol-2-yl-(2-chloro-6-fluorophenyl)methyl] N-methylcarbamate
Names & synonyms
104029-63-2(1,3-Benzoxazol-2-yl)(2-chloro-6-fluorophenyl)methyl N-methylcarbamateDTXSID90908728(1,3-Benzoxazol-2-yl)(2-chloro-6-fluorophenyl)methyl hydrogen methylcarbonimidate
Database identifiers
- CAS
104029-63-2- PubChem CID
- 190652
- DTXSID
DTXSID90908728
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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