Basic information
- CAS
95455-02-0- Standard SMILES
O=[N+]([O-])c1oc2ccc3ccccc3c2c1CCO- InChIKey
DMTZMRKTFPMXSU-UHFFFAOYSA-N- Molecular formula
- C14H11NO4
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.06880783
Names & identifiers
- Preferred name
- NAPHTHO(2,1-b)FURAN-1-ETHANOL, 2-NITRO-
- IUPAC
- 2-(2-nitrobenzo[e][1]benzofuran-1-yl)ethanol
Names & synonyms
95455-02-0NAPHTHO(2,1-b)FURAN-1-ETHANOL, 2-NITRO-R 75162-Nitronaphtho(2,1-b)furan-1-ethanolNSC373981CHEMBL7135WQG46C95NPMLS002701875NSC-3739812-(2-Nitro-naphtho[2,1-b]furan-1-yl)-ethanolNSC 373981BRN 5579062
Show more names
1-(Hydroxyethyl)-2-nitronaphtho(2,1-b)furanNaphtho[2, 2-nitro-UNII-WQG46C95NP2-(2-nitronaphtho[2,1-b]furan-1-yl)ethanolorb3236044SCHEMBL16001174DTXSID00241850BDBM50304337
Database identifiers
- CAS
95455-02-0- PubChem CID
- 56909
- DTXSID
DTXSID00241850- ChEMBL
CHEMBL7135- UNII
- WQG46C95NP
- Nikkaji
- J547.999A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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