Basic information
- CAS
87740-05-4- Standard SMILES
O=C(O)c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
OJGWJMNQVVFIIN-UHFFFAOYSA-N- Molecular formula
- C14H11NO5
- Average molar mass
- 273.24 g/mol
- Monoisotopic mass
- 273.06372245
Names & identifiers
- Preferred name
- 4-[(4-Nitrophenoxy)methyl]benzoic acid
- IUPAC
- 4-[(4-nitrophenoxy)methyl]benzoic acid
- English name
- 4-[(4-nitrophenoxy)methyl]benzoic acid
- Molecular formula
- C14H11NO5
- Molecular weight
- 273.24
Names & synonyms
4-[(4-nitrophenoxy)methyl]benzoic acid87740-05-44-((4-Nitrophenoxy)methyl)benzoic acidBenzoic acid, 4-[(4-nitrophenoxy)methyl]-MFCD03303604SCHEMBL15282049DTXSID60359187OJGWJMNQVVFIIN-UHFFFAOYSA-NSBB020767STK346651AKOS0001011034-((4-Nitrophenoxy)methyl)benzoicacid
Show more names
4-(4-Nitro-phenoxymethyl)-benzoic acidCS-0268141ST45115850EN300-228599
Database identifiers
- CAS
87740-05-4- PubChem CID
- 950141
- DTXSID
DTXSID60359187
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Boiling point
- 499.1 · 499.1±30.0 °C(Predicted)
- Density
- 1.376 · 1.376±0.06 g/cm3(Predicted)
- pka
- 4.13 · 4.13±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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