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1448854-61-2 | 3-(3-Fluorophenyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrimidine
CAS No: 1448854-61-2 Catalog No: AG01F629 MDL No:
Product Description
Catalog Number:
AG01F629
Chemical Name:
3-(3-Fluorophenyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrimidine
CAS Number:
1448854-61-2
Molecular Formula:
C11H11FN4
Molecular Weight:
218.2302
IUPAC Name:
3-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine
InChI:
InChI=1S/C11H11FN4/c12-9-4-1-3-8(7-9)10-14-15-11-13-5-2-6-16(10)11/h1,3-4,7H,2,5-6H2,(H,13,15)
InChI Key:
RUIZGHQPGDEXDK-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)c1nnc2n1CCCN2
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:
1.6
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