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99455-01-3 | 6-Iodo-1H-Quinolin-2-One
CAS No: 99455-01-3 Catalog No: AG0036NE MDL No:MFCD15144678
Product Description
Catalog Number:
AG0036NE
Chemical Name:
6-Iodo-1H-Quinolin-2-One
CAS Number:
99455-01-3
Molecular Formula:
C9H6INO
Molecular Weight:
271.0545
MDL Number:
MFCD15144678
IUPAC Name:
6-iodo-1H-quinolin-2-one
InChI:
InChI=1S/C9H6INO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5H,(H,11,12)
InChI Key:
HRQARRHZNIORQE-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)ccc(=O)[nH]2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.949g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.057g/mol
Monoisotopic Mass:
270.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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