200,000+ products from a single source!
sales@angenechem.com
113893-02-0 | 3-Pyridinecarbonitrile, 5-bromo-2-methoxy-4,6-dimethyl-
CAS No: 113893-02-0 Catalog No: AG000A0B MDL No:MFCD03787138
Product Description
Catalog Number:
AG000A0B
Chemical Name:
3-Pyridinecarbonitrile, 5-bromo-2-methoxy-4,6-dimethyl-
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.