Benzofuran, 3-methyl-2-nitro-
Basic information
- CAS
87977-35-3- Standard SMILES
Cc1c([N+](=O)[O-])oc2ccccc12- InChIKey
CLODDJSSOKWPFX-UHFFFAOYSA-N- Molecular formula
- C9H7NO3
- Average molar mass
- 177.16 g/mol
- Monoisotopic mass
- 177.04259309
Names & identifiers
- Preferred name
- Benzofuran, 3-methyl-2-nitro-
- IUPAC
- 3-methyl-2-nitro-1-benzofuran
Names & synonyms
3-Methyl-2-nitrobenzofuranBENZOFURAN, 3-METHYL-2-NITRO-1-Methyl-2-nitrobenzofuran87977-35-3R 7543BRN 4407744DTXSID60236727RefChem:326447DTXCID901592183-methyl-2-nitro-1-benzofuranCHEMBL7096
Database identifiers
- CAS
87977-35-3- PubChem CID
- 55773
- DTXSID
DTXSID60236727- ChEMBL
CHEMBL7096- Nikkaji
- J549.323D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 213
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Compound notes
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