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115924-35-1 | 1H-1,2,4-Triazole, 1-[2-(4-chlorophenyl)-2-(ethenyloxy)ethyl]-
CAS No: 115924-35-1 Catalog No: AG000H4D MDL No:
Product Description
Catalog Number:
AG000H4D
Chemical Name:
1H-1,2,4-Triazole, 1-[2-(4-chlorophenyl)-2-(ethenyloxy)ethyl]-
CAS Number:
115924-35-1
Molecular Formula:
C12H12ClN3O
Molecular Weight:
249.6962
IUPAC Name:
1-[2-(4-chlorophenyl)-2-ethenoxyethyl]-1,2,4-triazole
InChI:
InChI=1S/C12H12ClN3O/c1-2-17-12(7-16-9-14-8-15-16)10-3-5-11(13)6-4-10/h2-6,8-9,12H,1,7H2
InChI Key:
SKMRKPTZKXBTON-UHFFFAOYSA-N
SMILES:
C=COC(c1ccc(cc1)Cl)Cn1ncnc1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.698g/mol
Monoisotopic Mass:
249.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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