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121809-27-6 | 3-Pyridinecarboxamide, 1-(4-bromophenyl)-1,4-dihydro-
CAS No: 121809-27-6 Catalog No: AG00162J MDL No:
Product Description
Catalog Number:
AG00162J
Chemical Name:
3-Pyridinecarboxamide, 1-(4-bromophenyl)-1,4-dihydro-
CAS Number:
121809-27-6
Molecular Formula:
C12H11BrN2O
Molecular Weight:
279.1325
IUPAC Name:
1-(4-bromophenyl)-4H-pyridine-3-carboxamide
InChI:
InChI=1S/C12H11BrN2O/c13-10-3-5-11(6-4-10)15-7-1-2-9(8-15)12(14)16/h1,3-8H,2H2,(H2,14,16)
InChI Key:
YZULVBKKGYHXDI-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)N1C=CCC(=C1)C(=O)N
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.005g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.137g/mol
Monoisotopic Mass:
278.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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