Ethyl 5-nitrobenzo[d]oxazole-2-carboxylate
Basic information
- CAS
1159515-90-8- Standard SMILES
CCOC(=O)c1nc2cc([N+](=O)[O-])ccc2o1- InChIKey
XDFFACVVLUBJMJ-UHFFFAOYSA-N- Molecular formula
- C10H8N2O5
- Average molar mass
- 236.18 g/mol
- Monoisotopic mass
- 236.04332136
Names & identifiers
- Preferred name
- Ethyl 5-nitrobenzo[d]oxazole-2-carboxylate
- IUPAC
- ethyl 5-nitro-1,3-benzoxazole-2-carboxylate
Names & synonyms
1159515-90-8Ethyl 5-nitrobenzo[d]oxazole-2-carboxylateethyl 5-nitro-1,3-benzoxazole-2-carboxylate2-Benzoxazolecarboxylic acid, 5-nitro-, ethyl esterDTXSID601284489MFCD11856796AKOS025123250Ethyl 5-nitro-2-benzoxazolecarboxylateG70393
Database identifiers
- CAS
1159515-90-8- PubChem CID
- 91674366
- DTXSID
DTXSID601284489
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 316
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Compound notes
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