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849342-29-6 | 1H-1,2,4-Triazole, 3-methyl-1-propyl-5-(2,3,4,5-tetrafluorophenyl)-
CAS No: 849342-29-6 Catalog No: AG004VBS MDL No:
Product Description
Catalog Number:
AG004VBS
Chemical Name:
1H-1,2,4-Triazole, 3-methyl-1-propyl-5-(2,3,4,5-tetrafluorophenyl)-
CAS Number:
849342-29-6
Molecular Formula:
C12H11F4N3
Molecular Weight:
273.2295
IUPAC Name:
3-methyl-1-propyl-5-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazole
InChI:
InChI=1S/C12H11F4N3/c1-3-4-19-12(17-6(2)18-19)7-5-8(13)10(15)11(16)9(7)14/h5H,3-4H2,1-2H3
InChI Key:
XKJLRVGUMSKBCH-UHFFFAOYSA-N
SMILES:
CCCn1nc(nc1c1cc(F)c(c(c1F)F)F)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.089g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.235g/mol
Monoisotopic Mass:
273.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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