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13958-99-1 | 4-Pyridinecarboxamide, 3-bromo-
CAS No: 13958-99-1 Catalog No: AG001BAW MDL No:MFCD09702457
Product Description
Catalog Number:
AG001BAW
Chemical Name:
4-Pyridinecarboxamide, 3-bromo-
CAS Number:
13958-99-1
Molecular Formula:
C6H5BrN2O
Molecular Weight:
201.0207
MDL Number:
MFCD09702457
IUPAC Name:
3-bromopyridine-4-carboxamide
InChI:
InChI=1S/C6H5BrN2O/c7-5-3-9-2-1-4(5)6(8)10/h1-3H,(H2,8,10)
InChI Key:
YQOHJFWLALWBBP-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccncc1Br
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.959g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.023g/mol
Monoisotopic Mass:
199.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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