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Home Nitriles 2,8-Bis(trifluoromethyl)-2'-(2-pyridyl)-4-quinolineacetonitrile

2,8-Bis(trifluoromethyl)-2'-(2-pyridyl)-4-quinolineacetonitrile

CAS No.:
83012-12-8
Catalog Number:
AG008KGY
Molecular Formula:
C18H9F6N3
Molecular Weight:
381.2746
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
In Stock USA
United States
$130
- +
500mg
In Stock USA
United States
$193
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1g
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United States
$290
- +
2.5g
In Stock USA
United States
$498
- +
5g
In Stock USA
United States
$755
- +
10g
In Stock USA
United States
$1151
- +
25g
In Stock USA
United States
$2026
- +
50g
In Stock USA
United States
$3116
- +
Product Description
Catalog Number:
AG008KGY
Chemical Name:
2,8-Bis(trifluoromethyl)-2'-(2-pyridyl)-4-quinolineacetonitrile
CAS Number:
83012-12-8
Molecular Formula:
C18H9F6N3
Molecular Weight:
381.2746
MDL Number:
MFCD08437551
IUPAC Name:
2-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-pyridin-2-ylacetonitrile
InChI:
InChI=1S/C18H9F6N3/c19-17(20,21)13-5-3-4-10-11(8-15(18(22,23)24)27-16(10)13)12(9-25)14-6-1-2-7-26-14/h1-8,12H
InChI Key:
WCAXLPSKVMAJSQ-UHFFFAOYSA-N
SMILES:
N#CC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)c1ccccn1
EC Number:
280-130-4
Properties
Complexity:
566  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.07g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.281g/mol
Monoisotopic Mass:
381.07g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties