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155057-97-9 | 1,6-Naphthyridin-5(6H)-one, 8-bromo-
CAS No: 155057-97-9 Catalog No: AG001NKM MDL No:MFCD00928592
Product Description
Catalog Number:
AG001NKM
Chemical Name:
1,6-Naphthyridin-5(6H)-one, 8-bromo-
CAS Number:
155057-97-9
Molecular Formula:
C8H5BrN2O
Molecular Weight:
225.0421
MDL Number:
MFCD00928592
IUPAC Name:
8-bromo-6H-1,6-naphthyridin-5-one
InChI:
InChI=1S/C8H5BrN2O/c9-6-4-11-8(12)5-2-1-3-10-7(5)6/h1-4H,(H,11,12)
InChI Key:
WYXKOZHBOLUXGU-UHFFFAOYSA-N
SMILES:
Brc1c[nH]c(=O)c2c1nccc2
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.959g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.045g/mol
Monoisotopic Mass:
223.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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