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1000572-09-7 | 3-Acetyl-1-(2,6-difluorophenyl)-5-methyl-1,2,4-triazole
CAS No: 1000572-09-7 Catalog No: AG01F7ME MDL No:
Product Description
Catalog Number:
AG01F7ME
Chemical Name:
3-Acetyl-1-(2,6-difluorophenyl)-5-methyl-1,2,4-triazole
CAS Number:
1000572-09-7
Molecular Formula:
C11H9F2N3O
Molecular Weight:
237.2055
IUPAC Name:
1-[1-(2,6-difluorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanone
InChI:
InChI=1S/C11H9F2N3O/c1-6(17)11-14-7(2)16(15-11)10-8(12)4-3-5-9(10)13/h3-5H,1-2H3
InChI Key:
ZYNXSSYEPUXLMM-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1n1nc(nc1C)C(=O)C)F
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.071g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.21g/mol
Monoisotopic Mass:
237.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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