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Basic information
- CAS
91286-91-8- Standard SMILES
Cc1ccccc1NC(=O)Nc1cccc(C(F)(F)F)c1- InChIKey
PUQBXRKJAINERF-UHFFFAOYSA-N- Molecular formula
- C15H13F3N2O
- Average molar mass
- 294.27 g/mol
- Monoisotopic mass
- 294.09799753
Names & identifiers
- Preferred name
- 1-O-Tolyl-3-(3-trifluoromethyl-phenyl)-urea
- IUPAC
- 1-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
- English name
- Urea,N-(2-methylphenyl)-N'-[3-(trifluoromethyl)phenyl]-
- Molecular formula
- C15H13F3N2O
- Molecular weight
- 294.2717296
Names & synonyms
1-O-TOLYL-3-(3-TRIFLUOROMETHYL-PHENYL)-UREARefChem:435109684-963-891286-91-81-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]ureaNSC 81337NSC81337SCHEMBL17079632DTXSID60292282PUQBXRKJAINERF-UHFFFAOYSA-NNSC-81337AKOS002981453
Show more names
Urea,N-(2-methylphenyl)-N'-[3-(trifluoromethyl)phenyl]-
N-(2-Methylphenyl)-N'-[3-(trifluoromethyl)phenyl]urea
Database identifiers
- CAS
91286-91-8- PubChem CID
- 255649
- DTXSID
DTXSID60292282- EC Number
- 684-963-8
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
- H413-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
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Compound notes
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