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88727-92-8 | 1H-1,2,4-Triazole, 1-[[3-(4-chlorophenyl)-2-phenyloxiranyl]methyl]-
CAS No: 88727-92-8 Catalog No: AG004531 MDL No:
Product Description
Catalog Number:
AG004531
Chemical Name:
1H-1,2,4-Triazole, 1-[[3-(4-chlorophenyl)-2-phenyloxiranyl]methyl]-
CAS Number:
88727-92-8
Molecular Formula:
C17H14ClN3O
Molecular Weight:
311.7656
IUPAC Name:
1-[[3-(4-chlorophenyl)-2-phenyloxiran-2-yl]methyl]-1,2,4-triazole
InChI:
InChI=1S/C17H14ClN3O/c18-15-8-6-13(7-9-15)16-17(22-16,10-21-12-19-11-20-21)14-4-2-1-3-5-14/h1-9,11-12,16H,10H2
InChI Key:
PRHYPTJXCWSQKU-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C1OC1(Cn1cncn1)c1ccccc1
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.083g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.769g/mol
Monoisotopic Mass:
311.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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