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Home > Bromides > 1256823-07-0
1256823-07-0 | 2-Pyridinecarbonitrile, 5-bromo-4-methoxy-
CAS No: 1256823-07-0 Catalog No: AG000OG1 MDL No:
Product Description
Catalog Number:
AG000OG1
Chemical Name:
2-Pyridinecarbonitrile, 5-bromo-4-methoxy-
CAS Number:
1256823-07-0
Molecular Formula:
C7H5BrN2O
Molecular Weight:
213.0314
IUPAC Name:
5-bromo-4-methoxypyridine-2-carbonitrile
InChI:
InChI=1S/C7H5BrN2O/c1-11-7-2-5(3-9)10-4-6(7)8/h2,4H,1H3
InChI Key:
XOWUMORSLMSOMG-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)ncc1Br
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.959g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.034g/mol
Monoisotopic Mass:
211.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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