200,000+ products from a single source!
sales@angenechem.com
16544-67-5 | 4(3H)-Quinazolinone, 6-(trifluoromethyl)-
CAS No: 16544-67-5 Catalog No: AG001W52 MDL No:MFCD09954856
Product Description
Catalog Number:
AG001W52
Chemical Name:
4(3H)-Quinazolinone, 6-(trifluoromethyl)-
CAS Number:
16544-67-5
Molecular Formula:
C9H5F3N2O
Molecular Weight:
214.1440
MDL Number:
MFCD09954856
IUPAC Name:
6-(trifluoromethyl)-3H-quinazolin-4-one
InChI:
InChI=1S/C9H5F3N2O/c10-9(11,12)5-1-2-7-6(3-5)8(15)14-4-13-7/h1-4H,(H,13,14,15)
InChI Key:
PTVVXBQQOLLVJP-UHFFFAOYSA-N
SMILES:
O=c1[nH]cnc2c1cc(cc2)C(F)(F)F
EC Number:
605-407-2
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.147g/mol
Monoisotopic Mass:
214.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.