Basic information
- CAS
73713-72-1- Standard SMILES
O=C(OCC[NH+]1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2oc1=O.[Cl-]- InChIKey
IJWNLGDHZFECJX-UHFFFAOYSA-N- Molecular formula
- C16H17ClN2O7
- Average molar mass
- 384.77 g/mol
- Monoisotopic mass
- 384.0724286
Names & identifiers
- Preferred name
- 2-(Morpholin-4-yl)ethyl 6-nitro-2-oxo-2H-1-benzopyran-3-carboxylate--hydrogen chloride (1/1)
- IUPAC
- 2-morpholin-4-ium-4-ylethyl 6-nitro-2-oxochromene-3-carboxylate chloride
Names & synonyms
73713-72-1DTXSID909945852-(Morpholin-4-yl)ethyl 6-nitro-2-oxo-2H-1-benzopyran-3-carboxylate--hydrogen chloride (1/1)RefChem:1061929DTXCID1014216182H-1-Benzopyran-3-carboxylic acid, 6-nitro-2-oxo-, morpholinoethyl ester, hydrochloride6-Nitro-2-oxo-2H-1-benzopyran-3-carboxylic acid morpholinoethyl ester hydrochloride
Database identifiers
- CAS
73713-72-1- PubChem CID
- 52276
Properties
Computed structural properties
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 565
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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