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Home Halogens 3,5-Dichloro-1-(tetrahydro-2H-pyran-2-yl)-1H-1,2,4-triazole

3,5-Dichloro-1-(tetrahydro-2H-pyran-2-yl)-1H-1,2,4-triazole

CAS No.:
1088834-41-6
Catalog Number:
AG008VKZ
Molecular Formula:
C7H9Cl2N3O
Molecular Weight:
222.0719
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$129
- +
5g
95%
In Stock USA
United States
$316
- +
Product Description
Catalog Number:
AG008VKZ
Chemical Name:
3,5-Dichloro-1-(tetrahydro-2H-pyran-2-yl)-1H-1,2,4-triazole
CAS Number:
1088834-41-6
Molecular Formula:
C7H9Cl2N3O
Molecular Weight:
222.0719
MDL Number:
MFCD16556141
IUPAC Name:
3,5-dichloro-1-(oxan-2-yl)-1,2,4-triazole
InChI:
InChI=1S/C7H9Cl2N3O/c8-6-10-7(9)12(11-6)5-3-1-2-4-13-5/h5H,1-4H2
InChI Key:
COQOQVXWURFPDT-UHFFFAOYSA-N
SMILES:
Clc1nn(c(n1)Cl)C1CCCCO1
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.012g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.069g/mol
Monoisotopic Mass:
221.012g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties