p-(Propoxycarbonyl)phenyl 3-nitro-p-toluate
Basic information
- CAS
83573-57-3- Standard SMILES
CCCOC(=O)c1ccc(OC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1- InChIKey
JOUQWHISQQFODR-UHFFFAOYSA-N- Molecular formula
- C18H17NO6
- Average molar mass
- 343.3 g/mol
- Monoisotopic mass
- 343.10558726
Names & identifiers
- Preferred name
- p-(Propoxycarbonyl)phenyl 3-nitro-p-toluate
- IUPAC
- (4-propoxycarbonylphenyl) 4-methyl-3-nitrobenzoate
- English name
- p-(propoxycarbonyl)phenyl 3-nitro-p-toluate
- Molecular formula
- C18H17NO6
- Molecular weight
- 343.33068
Names & synonyms
p-(Propoxycarbonyl)phenyl 3-nitro-p-toluate83573-57-3EINECS 280-491-84-(PROPOXYCARBONYL)PHENYL 4-METHYL-3-NITROBENZOATEJOUQWHISQQFODR-UHFFFAOYSA-NDTXSID101003573NS000588144-Methyl-3-nitrobenzoic acid 4-(propoxycarbonyl)phenyl esterBenzoic acid,4-methyl-3-nitro-, 4-(propoxycarbonyl)phenyl ester
Database identifiers
- CAS
83573-57-3- PubChem CID
- 44145397
- DTXSID
DTXSID101003573- EC Number
- 280-491-8
- Nikkaji
- J326.822E
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 480
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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