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133116-85-5 | 4(3H)-Quinazolinone, 2-amino-5-(trifluoromethyl)-
CAS No: 133116-85-5 Catalog No: AG0014AQ MDL No:
Product Description
Catalog Number:
AG0014AQ
Chemical Name:
4(3H)-Quinazolinone, 2-amino-5-(trifluoromethyl)-
CAS Number:
133116-85-5
Molecular Formula:
C9H6F3N3O
Molecular Weight:
229.1586
IUPAC Name:
2-amino-5-(trifluoromethyl)-3H-quinazolin-4-one
InChI:
InChI=1S/C9H6F3N3O/c10-9(11,12)4-2-1-3-5-6(4)7(16)15-8(13)14-5/h1-3H,(H3,13,14,15,16)
InChI Key:
NOJQKNWGRVCAOC-UHFFFAOYSA-N
SMILES:
Nc1nc2cccc(c2c(=O)[nH]1)C(F)(F)F
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.162g/mol
Monoisotopic Mass:
229.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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