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Home > Bromides > 1250036-97-5
1250036-97-5 | 3-Pyridinecarboxamide, 5-bromo-N-(2,2-dimethoxyethyl)-
CAS No: 1250036-97-5 Catalog No: AG000MYT MDL No:
Product Description
Catalog Number:
AG000MYT
Chemical Name:
3-Pyridinecarboxamide, 5-bromo-N-(2,2-dimethoxyethyl)-
CAS Number:
1250036-97-5
Molecular Formula:
C10H13BrN2O3
Molecular Weight:
289.1258
IUPAC Name:
5-bromo-N-(2,2-dimethoxyethyl)pyridine-3-carboxamide
InChI:
InChI=1S/C10H13BrN2O3/c1-15-9(16-2)6-13-10(14)7-3-8(11)5-12-4-7/h3-5,9H,6H2,1-2H3,(H,13,14)
InChI Key:
ZKGMKFFGVWNHSJ-UHFFFAOYSA-N
SMILES:
COC(CNC(=O)c1cncc(c1)Br)OC
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.011g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.129g/mol
Monoisotopic Mass:
288.011g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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