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173999-48-9 | 3-Pyridinecarboxamide, 5-bromo-N-ethyl-
CAS No: 173999-48-9 Catalog No: AG001ZCU MDL No:MFCD09953023
Product Description
Catalog Number:
AG001ZCU
Chemical Name:
3-Pyridinecarboxamide, 5-bromo-N-ethyl-
CAS Number:
173999-48-9
Molecular Formula:
C8H9BrN2O
Molecular Weight:
229.0739
MDL Number:
MFCD09953023
IUPAC Name:
5-bromo-N-ethylpyridine-3-carboxamide
InChI:
InChI=1S/C8H9BrN2O/c1-2-11-8(12)6-3-7(9)5-10-4-6/h3-5H,2H2,1H3,(H,11,12)
InChI Key:
LBNZQARQDQMTGO-UHFFFAOYSA-N
SMILES:
CCNC(=O)c1cncc(c1)Br
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.99g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.077g/mol
Monoisotopic Mass:
227.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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