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1788-98-3 | 4(3H)-Quinazolinone, 2-methyl-3-[3-(trifluoromethyl)phenyl]-
CAS No: 1788-98-3 Catalog No: AG0026BY MDL No:
Product Description
Catalog Number:
AG0026BY
Chemical Name:
4(3H)-Quinazolinone, 2-methyl-3-[3-(trifluoromethyl)phenyl]-
CAS Number:
1788-98-3
Molecular Formula:
C16H11F3N2O
Molecular Weight:
304.2665
IUPAC Name:
2-methyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
InChI:
InChI=1S/C16H11F3N2O/c1-10-20-14-8-3-2-7-13(14)15(22)21(10)12-6-4-5-11(9-12)16(17,18)19/h2-9H,1H3
InChI Key:
YNDPTKFEXLQGTM-UHFFFAOYSA-N
SMILES:
Cc1nc2ccccc2c(=O)n1c1cccc(c1)C(F)(F)F
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.082g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.272g/mol
Monoisotopic Mass:
304.082g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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