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188677-47-6 | 2-Pyridinecarboxamide, 3-bromo-N-phenyl-
CAS No: 188677-47-6 Catalog No: AG002H4A MDL No:
Product Description
Catalog Number:
AG002H4A
Chemical Name:
2-Pyridinecarboxamide, 3-bromo-N-phenyl-
CAS Number:
188677-47-6
Molecular Formula:
C12H9BrN2O
Molecular Weight:
277.1167
IUPAC Name:
3-bromo-N-phenylpyridine-2-carboxamide
InChI:
InChI=1S/C12H9BrN2O/c13-10-7-4-8-14-11(10)12(16)15-9-5-2-1-3-6-9/h1-8H,(H,15,16)
InChI Key:
HKGBFKZLMHGRNZ-UHFFFAOYSA-N
SMILES:
O=C(c1ncccc1Br)Nc1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.99g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.121g/mol
Monoisotopic Mass:
275.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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