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Home Nitriles 5-Bromo-2-methoxy-4,6-dimethylnicotinonitrile

5-Bromo-2-methoxy-4,6-dimethylnicotinonitrile

CAS No.:
113893-02-0
Catalog Number:
AG000A0B
Molecular Formula:
C9H9BrN2O
Molecular Weight:
241.0846
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:
AG000A0B
Chemical Name:
5-Bromo-2-methoxy-4,6-dimethylnicotinonitrile
CAS Number:
113893-02-0
Molecular Formula:
C9H9BrN2O
Molecular Weight:
241.0846
MDL Number:
MFCD03787138
IUPAC Name:
5-bromo-2-methoxy-4,6-dimethylpyridine-3-carbonitrile
InChI:
InChI=1S/C9H9BrN2O/c1-5-7(4-11)9(13-3)12-6(2)8(5)10/h1-3H3
InChI Key:
TVKHQKFOAMVIQV-UHFFFAOYSA-N
SMILES:
COc1nc(C)c(c(c1C#N)C)Br
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.99g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.088g/mol
Monoisotopic Mass:
239.99g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties