Basic information
- CAS
6972-57-2- Standard SMILES
Cc1nc(CO)c(-c2ccc([N+](=O)[O-])cc2)o1- InChIKey
IHQWIMUZZRPLTH-UHFFFAOYSA-N- Molecular formula
- C11H10N2O4
- Average molar mass
- 234.21 g/mol
- Monoisotopic mass
- 234.0640568
Names & identifiers
- Preferred name
- [2-Methyl-5-(4-nitrophenyl)-1,3-oxazol-4-yl]methanol
- IUPAC
- [2-methyl-5-(4-nitrophenyl)-1,3-oxazol-4-yl]methanol
Names & synonyms
[2-methyl-5-(4-nitrophenyl)-1,3-oxazol-4-yl]methanol6972-57-2(2-Methyl-5-(4-nitrophenyl)oxazol-4-yl)methanolNSC62130Oprea1_245600DTXSID60289596NSC-62130ST009319[2-methyl-5-(4-nitrophenyl)-1,3-oxazol-4-yl]methan-1-ol
Database identifiers
- CAS
6972-57-2- PubChem CID
- 247487
- DTXSID
DTXSID60289596
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 92.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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