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76674-22-1 | 1H-1,2,4-Triazole-1-ethanol,a-(2,4-dichlorophenyl)-a-(4-fluorophenyl)-
CAS No: 76674-22-1 Catalog No: AG005AJY MDL No:
Product Description
Catalog Number:
AG005AJY
Chemical Name:
1H-1,2,4-Triazole-1-ethanol,a-(2,4-dichlorophenyl)-a-(4-fluorophenyl)-
CAS Number:
76674-22-1
Molecular Formula:
C16H12Cl2FN3O
Molecular Weight:
352.1904
IUPAC Name:
1-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
InChI:
InChI=1S/C16H12Cl2FN3O/c17-12-3-6-14(15(18)7-12)16(23,8-22-10-20-9-21-22)11-1-4-13(19)5-2-11/h1-7,9-10,23H,8H2
InChI Key:
RBNYRMJSBJAEIA-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(c1ccc(cc1Cl)Cl)(Cn1ncnc1)O
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.034g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.19g/mol
Monoisotopic Mass:
351.034g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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