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81234-40-4 | 1-Propanone, 1-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)-
CAS No: 81234-40-4 Catalog No: AG0054VL MDL No:
Product Description
Catalog Number:
AG0054VL
Chemical Name:
1-Propanone, 1-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)-
CAS Number:
81234-40-4
Molecular Formula:
C11H9Cl2N3O
Molecular Weight:
270.1147
IUPAC Name:
1-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-one
InChI:
InChI=1S/C11H9Cl2N3O/c12-8-1-2-9(10(13)5-8)11(17)3-4-16-7-14-6-15-16/h1-2,5-7H,3-4H2
InChI Key:
KIUCNBIBJMMTEW-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)C(=O)CCn1cncn1
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.012g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.113g/mol
Monoisotopic Mass:
269.012g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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