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Home > Fluorides > 1159530-94-5
1159530-94-5 | 3-(2-Fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CAS No: 1159530-94-5 Catalog No: AG01F562 MDL No:
Product Description
Catalog Number:
AG01F562
Chemical Name:
3-(2-Fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CAS Number:
1159530-94-5
Molecular Formula:
C11H11FN4
Molecular Weight:
218.2302
IUPAC Name:
3-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
InChI:
InChI=1S/C11H11FN4/c12-9-4-2-1-3-8(9)11-15-14-10-7-13-5-6-16(10)11/h1-4,13H,5-7H2
InChI Key:
JGBJGVGSJHDEOD-UHFFFAOYSA-N
SMILES:
Fc1ccccc1c1nnc2n1CCNC2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.097g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.235g/mol
Monoisotopic Mass:
218.097g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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