Basic information
- CAS
1240620-48-7- Standard SMILES
NC(=O)c1nc(C=O)c(CCl)o1- InChIKey
LTHUSONMOHFPOB-UHFFFAOYSA-N- Molecular formula
- C6H5ClN2O3
- Average molar mass
- 188.57 g/mol
- Monoisotopic mass
- 187.9988697
Names & identifiers
- Preferred name
- 5-(Chloromethyl)-4-formyl-2-oxazolecarboxamide
- IUPAC
- 5-(chloromethyl)-4-formyl-1,3-oxazole-2-carboxamide
Names & synonyms
5-(Chloromethyl)-4-formyl-2-oxazolecarboxamide1240620-48-7DTXSID6012479585-(Chloromethyl)-4-formyl-1,3-oxazole-2-carboxamide
Database identifiers
- CAS
1240620-48-7- PubChem CID
- 165348993
- DTXSID
DTXSID601247958
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 199
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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