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Home > Fluorides > 1157938-97-0
1157938-97-0 | Ethanone, 1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)-
CAS No: 1157938-97-0 Catalog No: AG000GV1 MDL No:MFCD12061657
Product Description
Catalog Number:
AG000GV1
Chemical Name:
Ethanone, 1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)-
CAS Number:
1157938-97-0
Molecular Formula:
C10H7F2N3O
Molecular Weight:
223.1789
MDL Number:
MFCD12061657
IUPAC Name:
1-(2,5-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone
InChI:
InChI=1S/C10H7F2N3O/c11-7-1-2-9(12)8(3-7)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2
InChI Key:
TYSGXZUZAJOVML-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(=O)Cn1cncn1)F
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.183g/mol
Monoisotopic Mass:
223.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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