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Home > Bromides > 1378875-48-9
1378875-48-9 | 3-Pyridinecarboximidic acid, 5-bromo-1,2-dihydro-2-oxo-, ethyl ester
CAS No: 1378875-48-9 Catalog No: AG00140U MDL No:
Product Description
Catalog Number:
AG00140U
Chemical Name:
3-Pyridinecarboximidic acid, 5-bromo-1,2-dihydro-2-oxo-, ethyl ester
CAS Number:
1378875-48-9
Molecular Formula:
C8H9BrN2O2
Molecular Weight:
245.0733
IUPAC Name:
ethyl 5-bromo-2-oxo-1H-pyridine-3-carboximidate
InChI:
InChI=1S/C8H9BrN2O2/c1-2-13-7(10)6-3-5(9)4-11-8(6)12/h3-4,10H,2H2,1H3,(H,11,12)
InChI Key:
PKFLBYAXSHSRQW-UHFFFAOYSA-N
SMILES:
CCOC(=N)c1cc(Br)c[nH]c1=O
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.985g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.076g/mol
Monoisotopic Mass:
243.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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