Basic information
- CAS
193952-11-3- Standard SMILES
O=C(O)CCCC(=O)Nc1ccc(F)cc1- InChIKey
BBDJNGOBAANARV-UHFFFAOYSA-N- Molecular formula
- C11H12FNO3
- Average molar mass
- 225.22 g/mol
- Monoisotopic mass
- 225.08012141
Names & identifiers
- Preferred name
- 5-[(4-Fluorophenyl)amino]-5-oxopentanoic acid
- IUPAC
- 5-(4-fluoroanilino)-5-oxopentanoic acid
- English name
- CHEMBRDG-BB 5270249
- Molecular formula
- C11H12FNO3
- Molecular weight
- 225.22
Names & synonyms
5-[(4-fluorophenyl)amino]-5-oxopentanoic acid193952-11-3DTXSID603541575-((4-Fluorophenyl)amino)-5-oxopentanoic acidRefChem:299137DTXCID503052195-(4-fluoroanilino)-5-oxopentanoic acid4'-fluoroglutaranilic acidCBKinase1_000251CBKinase1_012651Cambridge id 5270249Oprea1_876736
Show more names
ASISCHEM D51581OTAVA-BB 1113823CHEMBRDG-BB 5270249Pentanoic acid, 5-[(4-fluorophenyl)amino]-5-oxo-
SCHEMBL3139569STK252154AKOS002675931CCG-274108BRD-K99629699-001-01-7
Database identifiers
- CAS
193952-11-3- PubChem CID
- 765145
- DTXSID
DTXSID60354157- EC Number
- 114-033-4
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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