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83800-83-3 | 4(1H)-Quinazolinone, 2-[4-(trifluoromethyl)phenyl]-
CAS No: 83800-83-3 Catalog No: AG004WKU MDL No:
Product Description
Catalog Number:
AG004WKU
Chemical Name:
4(1H)-Quinazolinone, 2-[4-(trifluoromethyl)phenyl]-
CAS Number:
83800-83-3
Molecular Formula:
C15H9F3N2O
Molecular Weight:
290.2400
IUPAC Name:
2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
InChI:
InChI=1S/C15H9F3N2O/c16-15(17,18)10-7-5-9(6-8-10)13-19-12-4-2-1-3-11(12)14(21)20-13/h1-8H,(H,19,20,21)
InChI Key:
LSKQRMBPLLMJRR-UHFFFAOYSA-N
SMILES:
O=c1nc([nH]c2c1cccc2)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.067g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.245g/mol
Monoisotopic Mass:
290.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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