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Home Nitriles 2-Chloro-4,5,6-trimethylnicotinonitrile

2-Chloro-4,5,6-trimethylnicotinonitrile

CAS No.:
91591-64-9
Catalog Number:
AG00J2M0
Molecular Formula:
C9H9ClN2
Molecular Weight:
180.6342
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
- +
5g
95%
In Stock USA
United States
$671
- +
Product Description
Catalog Number:
AG00J2M0
Chemical Name:
2-Chloro-4,5,6-trimethylnicotinonitrile
CAS Number:
91591-64-9
Molecular Formula:
C9H9ClN2
Molecular Weight:
180.6342
MDL Number:
MFCD18917078
IUPAC Name:
2-chloro-4,5,6-trimethylpyridine-3-carbonitrile
InChI:
InChI=1S/C9H9ClN2/c1-5-6(2)8(4-11)9(10)12-7(5)3/h1-3H3
InChI Key:
OPJDHHFDFUSYCZ-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)nc(c(c1C)C)C
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.045g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.635g/mol
Monoisotopic Mass:
180.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties