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Home > Fluorides > 318258-14-9
318258-14-9 | 4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-ol
CAS No: 318258-14-9 Catalog No: AG01F29G MDL No:MFCD04116487
Product Description
Catalog Number:
AG01F29G
Chemical Name:
4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-ol
CAS Number:
318258-14-9
Molecular Formula:
C9H9F3N2O
Molecular Weight:
218.1758
MDL Number:
MFCD04116487
IUPAC Name:
4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
InChI:
InChI=1S/C9H9F3N2O/c10-9(11,12)7-5-3-1-2-4-6(5)13-8(15)14-7/h1-4H2,(H,13,14,15)
InChI Key:
KAWUGKMBYWDAGV-UHFFFAOYSA-N
SMILES:
Oc1nc2CCCCc2c(n1)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:
4
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:
1.9
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