sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitriles 6-(Difluoromethyl)-2-hydroxy-4-methylnicotinonitrile

6-(Difluoromethyl)-2-hydroxy-4-methylnicotinonitrile

CAS No.:
869942-32-5
Catalog Number:
AG008DYT
Molecular Formula:
C8H6F2N2O
Molecular Weight:
184.1428
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG008DYT
Chemical Name:
6-(Difluoromethyl)-2-hydroxy-4-methylnicotinonitrile
CAS Number:
869942-32-5
Molecular Formula:
C8H6F2N2O
Molecular Weight:
184.1428
MDL Number:
MFCD04967408
IUPAC Name:
6-(difluoromethyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C8H6F2N2O/c1-4-2-6(7(9)10)12-8(13)5(4)3-11/h2,7H,1H3,(H,12,13)
InChI Key:
ZVISEAWMQRQWBH-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc([nH]c1=O)C(F)F
Properties
Complexity:
360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.045g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.146g/mol
Monoisotopic Mass:
184.045g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties