Basic information
- CAS
15727-80-7- Standard SMILES
C=CCOC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
FNAOSVAQWXBRLK-UHFFFAOYSA-N- Molecular formula
- C10H9NO4
- Average molar mass
- 207.18 g/mol
- Monoisotopic mass
- 207.05315777
Names & identifiers
- Preferred name
- Benzoic acid, 4-nitro, allyl ester
- IUPAC
- prop-2-enyl 4-nitrobenzoate
- English name
- Benzoic acid, 4-nitro-, 2-propen-1-yl ester
- Molecular formula
- C10H9NO4
- Molecular weight
- 207.18
Names & synonyms
15727-80-7Benzoic acid, 4-nitro, allyl esterDTXSID00335925RefChem:327626DTXCID80287014FNAOSVAQWXBRLK-UHFFFAOYSA-NAllyl 4-nitrobenzoate2-Propenyl 4-nitrobenzoateprop-2-enyl 4-nitrobenzoatePROP-2-EN-1-YL 4-NITROBENZOATEAllyl4-nitrobenzoateallyl p-nitrobenzoate
Show more names
Benzoic acid, 4-nitro-, 2-propen-1-yl esterp-Nitrobenzoic acid allyl esterSCHEMBL9700739QAA72780EN300-1587547F094147
Database identifiers
- CAS
15727-80-7- PubChem CID
- 528006
- DTXSID
DTXSID00335925- Nikkaji
- J378.799K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Melting point
- 30 °C · 30 °C
- Boiling point
- 178 °C · 178 °C(Press: 19 Torr)
- Density
- 1.2283 g/cm3 · 1.2283 g/cm3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers1 total
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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