Decyl 2-nitrobenzoate
Basic information
- CAS
6500-28-3- Standard SMILES
CCCCCCCCCCOC(=O)c1ccccc1[N+](=O)[O-]- InChIKey
SJJAUALFDHHSCH-UHFFFAOYSA-N- Molecular formula
- C17H25NO4
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.17835828
Names & identifiers
- Preferred name
- Decyl 2-nitrobenzoate
- IUPAC
- decyl 2-nitrobenzoate
- English name
- decyl 2-nitrobenzoate
- Molecular formula
- C17H25NO4
- Molecular weight
- 307.38
Names & synonyms
Decyl 2-nitrobenzoate6500-28-3EINECS 229-381-3starbld00286363D5HT67AM4DTXSID00215319SJJAUALFDHHSCH-UHFFFAOYSA-NBenzoic acid, o-nitro-, decyl esterBenzoic acid, 2-nitro-, decyl esterNS000357752-Nitrobenzoic acid decyl ester
Database identifiers
- CAS
6500-28-3- PubChem CID
- 80996
- DTXSID
DTXSID00215319- UNII
- 3D5HT67AM4
- EC Number
- 229-381-3
- Nikkaji
- J225.155H
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 327
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
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Compound notes
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