2(3H)-Benzoxazolone, 6-(3-(4-nitrophenyl)-1-oxo-2-propenyl)-
Basic information
- CAS
54903-29-6- Standard SMILES
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc2[nH]c(=O)oc2c1- InChIKey
LZAPZSIPXRCLLP-FPYGCLRLSA-N- Molecular formula
- C16H10N2O5
- Average molar mass
- 310.26 g/mol
- Monoisotopic mass
- 310.05897142
Names & identifiers
- Preferred name
- 2(3H)-Benzoxazolone, 6-(3-(4-nitrophenyl)-1-oxo-2-propenyl)-
- IUPAC
- 6-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-3H-1,3-benzoxazol-2-one
Names & synonyms
2(3H)-Benzoxazolone, 6-(3-(4-nitrophenyl)-1-oxo-2-propenyl)-54903-29-6RefChem:1058723JPB 59BRN 11507766-(3-(4-Nitrophenyl)-1-oxo-2-propenyl)-2(3H)-benzoxazolone
Database identifiers
- CAS
54903-29-6- PubChem CID
- 6446142
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 519
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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