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145369-94-4 | 4-Quinolinol, 6-bromo-
CAS No: 145369-94-4 Catalog No: AG001KU6 MDL No:MFCD00272435
Product Description
Catalog Number:
AG001KU6
Chemical Name:
4-Quinolinol, 6-bromo-
CAS Number:
145369-94-4
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
MDL Number:
MFCD00272435
IUPAC Name:
6-bromo-1H-quinolin-4-one
InChI:
InChI=1S/C9H6BrNO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-5H,(H,11,12)
InChI Key:
XKLBNOHKHRAXKK-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(O)ccn2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.963g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.057g/mol
Monoisotopic Mass:
222.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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