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Home > Bromides > 1245646-66-5
1245646-66-5 | 3-Pyridinecarboxamide, 5-bromo-2-methoxy-
CAS No: 1245646-66-5 Catalog No: AG000MB4 MDL No:
Product Description
Catalog Number:
AG000MB4
Chemical Name:
3-Pyridinecarboxamide, 5-bromo-2-methoxy-
CAS Number:
1245646-66-5
Molecular Formula:
C7H7BrN2O2
Molecular Weight:
231.0467
IUPAC Name:
5-bromo-2-methoxypyridine-3-carboxamide
InChI:
InChI=1S/C7H7BrN2O2/c1-12-7-5(6(9)11)2-4(8)3-10-7/h2-3H,1H3,(H2,9,11)
InChI Key:
IZZFUIWUXBBSRB-UHFFFAOYSA-N
SMILES:
COc1ncc(cc1C(=O)N)Br
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.969g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.049g/mol
Monoisotopic Mass:
229.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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