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147750-20-7 | 4(3H)-Quinazolinone, 5,6,7,8-tetrahydro-2-(trifluoromethyl)-
CAS No: 147750-20-7 Catalog No: AG001F54 MDL No:
Product Description
Catalog Number:
AG001F54
Chemical Name:
4(3H)-Quinazolinone, 5,6,7,8-tetrahydro-2-(trifluoromethyl)-
CAS Number:
147750-20-7
Molecular Formula:
C9H9F3N2O
Molecular Weight:
218.1758
IUPAC Name:
2-(trifluoromethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
InChI:
InChI=1S/C9H9F3N2O/c10-9(11,12)8-13-6-4-2-1-3-5(6)7(15)14-8/h1-4H2,(H,13,14,15)
InChI Key:
BCJOPFSBBJDRPE-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(nc2c1CCCC2)C(F)(F)F
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.179g/mol
Monoisotopic Mass:
218.067g/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
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