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Home > Fluorides > 1448855-47-7
1448855-47-7 | 3-(4-Fluorophenyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrimidine
CAS No: 1448855-47-7 Catalog No: AG01F62B MDL No:
Product Description
Catalog Number:
AG01F62B
Chemical Name:
3-(4-Fluorophenyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrimidine
CAS Number:
1448855-47-7
Molecular Formula:
C11H11FN4
Molecular Weight:
218.2302
IUPAC Name:
3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine
InChI:
InChI=1S/C11H11FN4/c12-9-4-2-8(3-5-9)10-14-15-11-13-6-1-7-16(10)11/h2-5H,1,6-7H2,(H,13,15)
InChI Key:
WFGMJDUKMOGZMM-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1nnc2n1CCCN2
Properties
Complexity:
242
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:
1.6
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