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959558-50-0 | 4-Iodo-2,7-naphthyridin-1(2H)-one
CAS No: 959558-50-0 Catalog No: AG00IJK2 MDL No:MFCD17015944
Product Description
Catalog Number:
AG00IJK2
Chemical Name:
4-Iodo-2,7-naphthyridin-1(2H)-one
CAS Number:
959558-50-0
Molecular Formula:
C8H5IN2O
Molecular Weight:
272.0426
MDL Number:
MFCD17015944
IUPAC Name:
4-iodo-2H-2,7-naphthyridin-1-one
InChI:
InChI=1S/C8H5IN2O/c9-7-4-11-8(12)6-3-10-2-1-5(6)7/h1-4H,(H,11,12)
InChI Key:
ZBDXNQRDQVRSPG-UHFFFAOYSA-N
SMILES:
Ic1c[nH]c(=O)c2c1ccnc2
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.945g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.045g/mol
Monoisotopic Mass:
271.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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