NAPHTHO(2,1-b)FURAN-7-ACETIC ACID, 2-NITRO-, METHYL ESTER
Basic information
- CAS
92262-82-3- Standard SMILES
COC(=O)Cc1ccc2c(ccc3oc([N+](=O)[O-])cc32)c1- InChIKey
CTJWKNJBDMVUEQ-UHFFFAOYSA-N- Molecular formula
- C15H11NO5
- Average molar mass
- 285.25 g/mol
- Monoisotopic mass
- 285.06372245
Names & identifiers
- Preferred name
- NAPHTHO(2,1-b)FURAN-7-ACETIC ACID, 2-NITRO-, METHYL ESTER
- IUPAC
- methyl 2-(2-nitrobenzo[e][1]benzofuran-7-yl)acetate
Names & synonyms
NAPHTHO(2,1-b)FURAN-7-ACETIC ACID, 2-NITRO-, METHYL ESTER92262-82-3R 7432BRN 55998782-Nitronaphtho(2,1-b)furan-7-methylacetate2-Nitronaphtho(2,1-b)furan-7-acetic acid methyl esterCHEMBL267286DTXSID00238942Methyl (2-nitronaphtho[2,1-b]furan-7-yl)acetate
Database identifiers
- CAS
92262-82-3- PubChem CID
- 56371
- DTXSID
DTXSID00238942- ChEMBL
CHEMBL267286
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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