Home Other Building Blocks 1-(2-Chloro-4-(perfluoropropan-2-yl)-6-(trifluoromethyl)phenyl)-1h-pyrazole

1-(2-Chloro-4-(perfluoropropan-2-yl)-6-(trifluoromethyl)phenyl)-1h-pyrazole

CAS No.:
2007909-19-3
Catalog Number:
AG01EFMU
Molecular Formula:
C13H5ClF10N2
Molecular Weight:
414.6292
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$133
- +
250mg
95%
In Stock USA
United States
$221
- +
1g
95%
In Stock USA
United States
$441
- +
5g
95%
In Stock USA
United States
$1323
- +
Product Description
Catalog Number:
AG01EFMU
Chemical Name:
1-(2-Chloro-4-(perfluoropropan-2-yl)-6-(trifluoromethyl)phenyl)-1h-pyrazole
CAS Number:
2007909-19-3
Molecular Formula:
C13H5ClF10N2
Molecular Weight:
414.6292
MDL Number:
MFCD30472125
IUPAC Name:
1-[2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)phenyl]pyrazole
InChI:
InChI=1S/C13H5ClF10N2/c14-8-5-6(10(15,12(19,20)21)13(22,23)24)4-7(11(16,17)18)9(8)26-3-1-2-25-26/h1-5H
InChI Key:
DEGRZTBNQNZPOM-UHFFFAOYSA-N
SMILES:
Clc1cc(cc(c1n1cccn1)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)F
Properties
Complexity:
489  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.998g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.631g/mol
Monoisotopic Mass:
413.998g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  
Properties