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Home > Fluorides > 119222-30-9
119222-30-9 | 7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one,3-[(2-fluorophenyl)methyl]-3,4-dihydro-
CAS No: 119222-30-9 Catalog No: AG01FMSA MDL No:MFCD05253318
Product Description
Catalog Number:
AG01FMSA
Chemical Name:
7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one,3-[(2-fluorophenyl)methyl]-3,4-dihydro-
CAS Number:
119222-30-9
Molecular Formula:
C11H8FN5O
Molecular Weight:
245.2125
MDL Number:
MFCD05253318
IUPAC Name:
3-[(2-fluorophenyl)methyl]-6H-triazolo[4,5-d]pyrimidin-7-one
InChI:
InChI=1S/C11H8FN5O/c12-8-4-2-1-3-7(8)5-17-10-9(15-16-17)11(18)14-6-13-10/h1-4,6H,5H2,(H,13,14,18)
InChI Key:
WUPYTHMGZVPZRN-UHFFFAOYSA-N
SMILES:
Fc1ccccc1Cn1nnc2c1nc[nH]c2=O
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.071g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.217g/mol
Monoisotopic Mass:
245.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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