Basic information
- Standard SMILES
O=C(O)c1ccccc1C(=O)Nc1ccc(F)cc1- InChIKey
FZGQSGHYCVVQEA-UHFFFAOYSA-N- Molecular formula
- C14H10FNO3
- Average molar mass
- 259.23 g/mol
- Monoisotopic mass
- 259.06447134
Names & identifiers
- Preferred name
- Phthalamic acid, N-(p-fluorophenyl)-
- IUPAC
- 2-[(4-fluorophenyl)carbamoyl]benzoic acid
- English name
- 2-[(4-FLUOROPHENYL)CARBAMOYL]-BENZOIC ACID
- Molecular formula
- C14H10FNO3
- Molecular weight
- 259.23
Names & synonyms
19336-77-7Phthalamic acid, N-(p-fluorophenyl)-N-(p-Fluorophenyl)phthalamic acidNSC 109196BRN 2944117Benzoic acid, 2-[[(4-fluorophenyl)amino]carbonyl]-DTXSID401729324'-FLUOROPHTHALANILIC ACIDBenzoic acid, 2-(((4-fluorophenyl)amino)carbonyl)-RefChem:863023DTXCID4095423Benzoic acid, 2-(((4-fluorophenyl)amino)carbonyl)-(9CI)
Show more names
N-(4-Fluorophenyl)phthalamidic acid2-{[(4-fluorophenyl)amino]carbonyl}benzoic acid
665-983-62-[(4-fluorophenyl)carbamoyl]benzoic acid2-((4-Fluorophenyl)carbamoyl)benzoic acid2-[(4-FLUOROPHENYL)CARBAMOYL]-BENZOIC ACID2-[N-(4-fluorophenyl)carbamoyl]benzoic acidMFCD00029956NSC109196Maybridge1_006468
Database identifiers
- CAS
19336-77-7- PubChem CID
- 97259
- DTXSID
DTXSID40172932- ChEMBL
CHEMBL313937- EC Number
- 665-983-6
- Nikkaji
- J50.505F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Boiling point
- 356.4 · 356.4±27.0 °C(Predicted)
- Density
- 1.4 · 1.400±0.06 g/cm3(Predicted)
- pka
- 3.44 · 3.44±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H400
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P273-P391-P501
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H319-H302-H400
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P273-P391-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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