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1261530-52-2 | 4-Quinolinol, 2-bromo-
CAS No: 1261530-52-2 Catalog No: AG000RUF MDL No:
Product Description
Catalog Number:
AG000RUF
Chemical Name:
4-Quinolinol, 2-bromo-
CAS Number:
1261530-52-2
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
IUPAC Name:
2-bromo-1H-quinolin-4-one
InChI:
InChI=1S/C9H6BrNO/c10-9-5-8(12)6-3-1-2-4-7(6)11-9/h1-5H,(H,11,12)
InChI Key:
AVUUEKIQYHFVRT-UHFFFAOYSA-N
SMILES:
Brc1cc(O)c2c(n1)cccc2
Properties
Complexity:
237
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:
2.5
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