![{[CurrentData.Name]}](https://resource.alfachemic.com/structure/3824-74-6.gif)
Synonyms
CHEMBL534675; DTXSID20333044; Schreiner's Catalyst; SCHEMBL2681462; MCULE-7745105779; Urea, N,N'-bis[3,5-bis(trifluoromethyl)phenyl]-; AKOS024429933; 3824-74-6; CTK1B5028;
IUPAC Name
1,3-bis[3,5-bis(trifluoromethyl)phenyl]urea;
Molecular Weight
484.245g/mol
Molecular Formula
C17H8F12N2O;
Canonical SMILES
C1=C(C=C(C=C1C(F)(F)F)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(F)(F)F;
InChI
InChI=1S/C17H8F12N2O/c18-14(19,20)7-1-8(15(21,22)23)4-11(3-7)30-13(32)31-12-5-9(16(24,25)26)2-10(6-12)17(27,28)29/h1-6H,(H2,30,31,32);
InChI Key
YGCOMBKZFUMALE-UHFFFAOYSA-N;
Storage
2-8°C
Complexity
556
Covalently-Bonded Unit Count
1
Exact Mass
484.045g/mol
H-Bond Acceptor
13
H-Bond Donor
2
Heavy Atom Count
32
Monoisotopic Mass
484.045g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
41.1A^2
