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129075-66-7 | 1(2H)-Isoquinolinone, 4-bromo-5-hydroxy-
CAS No: 129075-66-7 Catalog No: AG000YT5 MDL No:
Product Description
Catalog Number:
AG000YT5
Chemical Name:
1(2H)-Isoquinolinone, 4-bromo-5-hydroxy-
CAS Number:
129075-66-7
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
IUPAC Name:
4-bromo-5-hydroxy-2H-isoquinolin-1-one
InChI:
InChI=1S/C9H6BrNO2/c10-6-4-11-9(13)5-2-1-3-7(12)8(5)6/h1-4,12H,(H,11,13)
InChI Key:
AXIFXIZYQOQGJI-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1c(Br)c[nH]c2=O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.958g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.056g/mol
Monoisotopic Mass:
238.958g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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