200,000+ products from a single source!
sales@angenechem.com
79513-91-0 | Urea, N-(2,6-dimethyl-4-pyrimidinyl)-N'-[3-(trifluoromethyl)phenyl]-
CAS No: 79513-91-0 Catalog No: AG00589A MDL No:
Product Description
Catalog Number:
AG00589A
Chemical Name:
Urea, N-(2,6-dimethyl-4-pyrimidinyl)-N'-[3-(trifluoromethyl)phenyl]-
CAS Number:
79513-91-0
Molecular Formula:
C14H13F3N4O
Molecular Weight:
310.2744
IUPAC Name:
1-(2,6-dimethylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
InChI:
InChI=1S/C14H13F3N4O/c1-8-6-12(19-9(2)18-8)21-13(22)20-11-5-3-4-10(7-11)14(15,16)17/h3-7H,1-2H3,(H2,18,19,20,21,22)
InChI Key:
WMKRJBHBVHLCBC-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(C)nc(n1)C)Nc1cccc(c1)C(F)(F)F
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.104g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.28g/mol
Monoisotopic Mass:
310.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.