Basic information
- CAS
1305324-59-7- Standard SMILES
CC(C)(C)c1nc2c(Br)nc(I)c(Cl)c2o1- InChIKey
PFWCCBWRZODRHP-UHFFFAOYSA-N- Molecular formula
- C10H9BrClIN2O
- Average molar mass
- 415.45 g/mol
- Monoisotopic mass
- 413.86315
Names & identifiers
- Preferred name
- 4-Bromo-2-(tert-butyl)-7-chloro-6-iodooxazolo[4,5-C]pyridine
- IUPAC
- 4-bromo-2-tert-butyl-7-chloro-6-iodo-[1,3]oxazolo[4,5-c]pyridine
Names & synonyms
4-BROMO-2-(TERT-BUTYL)-7-CHLORO-6-IODOOXAZOLO[4,5-C]PYRIDINE1305324-59-7MFCD204870074-bromo-2-tert-butyl-7-chloro-6-iodo-[1,3]oxazolo[4,5-c]pyridineC10H9BrClIN2ODTXSID3011546714-bromo-2-tert-butyl-7-chloro-6-iodo-oxazolo[4,5-c]pyridine4-Bromo-2-tert-butyl-7-chloro-6-iodo[1,3]oxazolo[4,5-c]pyridine4-Bromo-2-(tert-butyl)-7-chloro-6-iodooxazolo[4,5-c]pyridine, AldrichCPROxazolo[4,5-c]pyridine, 4-bromo-7-chloro-2-(1,1-dimethylethyl)-6-iodo-
Database identifiers
- CAS
1305324-59-7- PubChem CID
- 71299080
- DTXSID
DTXSID301154671
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 276
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…