NAPHTHO(2,1-b)FURAN-7-CARBOXYLIC ACID, 2-NITRO-
Basic information
- CAS
92262-80-1- Standard SMILES
O=C(O)c1ccc2c(ccc3oc([N+](=O)[O-])cc32)c1- InChIKey
WQZZTJHTXTZZOR-UHFFFAOYSA-N- Molecular formula
- C13H7NO5
- Average molar mass
- 257.2 g/mol
- Monoisotopic mass
- 257.03242232
Names & identifiers
- Preferred name
- NAPHTHO(2,1-b)FURAN-7-CARBOXYLIC ACID, 2-NITRO-
- IUPAC
- 2-nitrobenzo[e][1]benzofuran-7-carboxylic acid
Names & synonyms
NAPHTHO(2,1-b)FURAN-7-CARBOXYLIC ACID, 2-NITRO-2-Nitronaphtho(2,1-b)furan-7-carboxylic acid92262-80-12-nitronaphtho[2,1-b]furan-7-carboxylic acidR 7452BRN 5573603DTXSID40238941
Database identifiers
- CAS
92262-80-1- PubChem CID
- 56370
- DTXSID
DTXSID40238941
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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