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1227958-34-0 | Ethanone, 2-chloro-1-[1-(1-methylethyl)-1H-1,2,4-triazol-5-yl]-
CAS No: 1227958-34-0 Catalog No: AG000JHC MDL No:MFCD22199271
Product Description
Catalog Number:
AG000JHC
Chemical Name:
Ethanone, 2-chloro-1-[1-(1-methylethyl)-1H-1,2,4-triazol-5-yl]-
CAS Number:
1227958-34-0
Molecular Formula:
C7H10ClN3O
Molecular Weight:
187.6268
MDL Number:
MFCD22199271
IUPAC Name:
2-chloro-1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
InChI:
InChI=1S/C7H10ClN3O/c1-5(2)11-7(6(12)3-8)9-4-10-11/h4-5H,3H2,1-2H3
InChI Key:
YCAHYQDYDBCHBX-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1ncnn1C(C)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.627g/mol
Monoisotopic Mass:
187.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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