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Home > Fluorides > 1245643-63-3
1245643-63-3 | 1H-1,2,4-Triazole, 1-(3-fluorophenyl)-3-methyl-
CAS No: 1245643-63-3 Catalog No: AG000M82 MDL No:
Product Description
Catalog Number:
AG000M82
Chemical Name:
1H-1,2,4-Triazole, 1-(3-fluorophenyl)-3-methyl-
CAS Number:
1245643-63-3
Molecular Formula:
C9H8FN3
Molecular Weight:
177.1783
IUPAC Name:
1-(3-fluorophenyl)-3-methyl-1,2,4-triazole
InChI:
InChI=1S/C9H8FN3/c1-7-11-6-13(12-7)9-4-2-3-8(10)5-9/h2-6H,1H3
InChI Key:
UUVBZSUOPWVALO-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)n1cnc(n1)C
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.07g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.182g/mol
Monoisotopic Mass:
177.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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