Ethyl 5-nitro-1-naphthoate
Basic information
- CAS
91901-43-8- Standard SMILES
CCOC(=O)c1cccc2c([N+](=O)[O-])cccc12- InChIKey
QPADTPIHSPAZLQ-UHFFFAOYSA-N- Molecular formula
- C13H11NO4
- Average molar mass
- 245.23 g/mol
- Monoisotopic mass
- 245.06880783
Names & identifiers
- Preferred name
- Ethyl 5-nitro-1-naphthoate
- IUPAC
- ethyl 5-nitronaphthalene-1-carboxylate
- English name
- 5-NITRO-NAPHTHALENE-1-CARBOXYLIC ACID ETHYL ESTER
- Molecular formula
- C13H11NO4
- Molecular weight
- 245.23
Names & synonyms
Ethyl 5-nitro-1-naphthoate91901-43-8DTXSID40301260RefChem:344412DTXCID90252394ethyl 5-nitronaphthalene-1-carboxylate5-NITRO-NAPHTHALENE-1-CARBOXYLIC ACID ETHYL ESTERNSC142129Ethyl 5-nitro-1-naphthoate #SCHEMBL5752237AKOS000114370NSC-142129
Show more names
5-Nitro-1-naphthoic acid ethyl ester
DB-079193CS-03615981-Naphthalenecarboxylic acid, 5-nitro-, ethyl ester
Database identifiers
- CAS
91901-43-8- PubChem CID
- 285289
- DTXSID
DTXSID40301260- Nikkaji
- J308.014E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- Boiling point
- 390.1 · 390.1±17.0 °C(Predicted)
- Density
- 1.292 · 1.292±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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