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Home > Bromides > 1333147-36-6
1333147-36-6 | 2-Pyridinecarbonitrile, 3-bromo-5,6-dimethoxy-
CAS No: 1333147-36-6 Catalog No: AG0014M5 MDL No:
Product Description
Catalog Number:
AG0014M5
Chemical Name:
2-Pyridinecarbonitrile, 3-bromo-5,6-dimethoxy-
CAS Number:
1333147-36-6
Molecular Formula:
C8H7BrN2O2
Molecular Weight:
243.0574
IUPAC Name:
3-bromo-5,6-dimethoxypyridine-2-carbonitrile
InChI:
InChI=1S/C8H7BrN2O2/c1-12-7-3-5(9)6(4-10)11-8(7)13-2/h3H,1-2H3
InChI Key:
ONVFWHDVKGWYNO-UHFFFAOYSA-N
SMILES:
COc1nc(C#N)c(cc1OC)Br
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.969g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.06g/mol
Monoisotopic Mass:
241.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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