Home Halogens 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-3-methyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol

2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-3-methyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol

CAS No.:
1417782-08-1
Catalog Number:
AG01EA82
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01EA82
Chemical Name:
2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-3-methyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
CAS Number:
1417782-08-1
MDL Number:
MFCD31696616
IUPAC Name:
1-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-2-methyl-1-(1,2,4-triazol-1-yl)propan-1-ol
InChI:
InChI=1S/C19H17ClF3N3O2/c1-12(2)18(27,26-11-24-10-25-26)16-8-7-15(9-17(16)19(21,22)23)28-14-5-3-13(20)4-6-14/h3-12,27H,1-2H3
InChI Key:
SETKBSJIIISPRJ-UHFFFAOYSA-N
Properties
Complexity:
517  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.096g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
411.809g/mol
Monoisotopic Mass:
411.096g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  
Properties