(3-Amino-1-benzofuran-2-yl)(2-furyl)methanone
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Basic information
- CAS
730976-42-8- Standard SMILES
Nc1c(C(=O)c2ccco2)oc2ccccc12- InChIKey
WUJHSEBHZVJTIN-UHFFFAOYSA-N- Molecular formula
- C13H9NO3
- Average molar mass
- 227.21 g/mol
- Monoisotopic mass
- 227.05824315
Names & identifiers
- Preferred name
- (3-Amino-1-benzofuran-2-yl)(2-furyl)methanone
- IUPAC
- (3-amino-1-benzofuran-2-yl)-(furan-2-yl)methanone
- English name
- (3-AMINO-1-BENZOFURAN-2-YL)(2-FURYL)METHANONE
- Molecular formula
- C13H9NO3
- Molecular weight
- 227.22
Names & synonyms
730976-42-8(3-amino-1-benzofuran-2-yl)(2-furyl)methanone2-(furan-2-carbonyl)-1-benzofuran-3-amine(3-Aminobenzofuran-2-yl)(furan-2-yl)methanone(3-amino-1-benzofuran-2-yl)-(furan-2-yl)methanoneMLS001006853CHEMBL1340907DTXSID501328529HMS1756L16HMS2680O19MFCD04623493SBB078086
Show more names
Reaxys ID: 15791905Methanone, (3-amino-2-benzofuranyl)-2-furanyl-
AKOS000117104SMR000384368SY132239(3-Amino-2-benzofuryl)(2-furyl)methanone3-aminobenzo[d]furan-2-yl 2-furyl ketoneCS-0220548(3-aminobenzofuran-2-yl)-(2-furyl)methanoneEN300-06916
Database identifiers
- CAS
730976-42-8- PubChem CID
- 2398025
- DTXSID
DTXSID501328529- ChEMBL
CHEMBL1340907- EC Number
- 193-283-6
- Nikkaji
- J2.516.331A
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 307
Experimental & physicochemical properties
Solubility25.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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