Basic information
- CAS
50527-27-0- Standard SMILES
CCCCNc1c([N+](=O)[O-])c(=O)oc2ccccc12- InChIKey
UMKVLFMFXZVPTH-UHFFFAOYSA-N- Molecular formula
- C13H14N2O4
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.09535693
Names & identifiers
- Preferred name
- Coumarin, 4-butylamino-3-nitro-
- IUPAC
- 4-(butylamino)-3-nitrochromen-2-one
- English name
- 4-(butylamino)-3-nitro-2H-chromen-2-one
- Molecular formula
- C13H14N2O4
- Molecular weight
- 262.26126
Names & synonyms
50527-27-04-Butylamino-3-nitrocoumarin4-(butylamino)-3-nitrochromen-2-one4-(butylamino)-3-nitro-2H-chromen-2-oneCOUMARIN, 4-BUTYLAMINO-3-NITRO-4-(Butylamino)-3-nitro-2H-1-benzopyran-2-oneBRN 1653711SR-010003158064-n-butylamino-3-nitrocoumarinDTXSID00198532AKOS000637838EU-0033564
Show more names
ST50244906AH-034/32475042SR-01000315806-1SR-01000315806-2
Database identifiers
- CAS
50527-27-0- PubChem CID
- 39683
- DTXSID
DTXSID00198532- Nikkaji
- J67.668C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 400
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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