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131758-17-3 | Ethanone, 2,2,2-trichloro-1-(1-methyl-1H-1,2,4-triazol-5-yl)-
CAS No: 131758-17-3 Catalog No: AG000ZOJ MDL No:MFCD11100145
Product Description
Catalog Number:
AG000ZOJ
Chemical Name:
Ethanone, 2,2,2-trichloro-1-(1-methyl-1H-1,2,4-triazol-5-yl)-
CAS Number:
131758-17-3
Molecular Formula:
C5H4Cl3N3O
Molecular Weight:
228.4638
MDL Number:
MFCD11100145
IUPAC Name:
2,2,2-trichloro-1-(2-methyl-1,2,4-triazol-3-yl)ethanone
InChI:
InChI=1S/C5H4Cl3N3O/c1-11-4(9-2-10-11)3(12)5(6,7)8/h2H,1H3
InChI Key:
BVVCMIMLIPJZEB-UHFFFAOYSA-N
SMILES:
O=C(C(Cl)(Cl)Cl)c1ncnn1C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.942g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.457g/mol
Monoisotopic Mass:
226.942g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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