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1015070-56-0 | 4-Isoquinolinol, 6-bromo-
CAS No: 1015070-56-0 Catalog No: AG0004NC MDL No:MFCD18257891
Product Description
Catalog Number:
AG0004NC
Chemical Name:
4-Isoquinolinol, 6-bromo-
CAS Number:
1015070-56-0
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
MDL Number:
MFCD18257891
IUPAC Name:
6-bromoisoquinolin-4-ol
InChI:
InChI=1S/C9H6BrNO/c10-7-2-1-6-4-11-5-9(12)8(6)3-7/h1-5,12H
InChI Key:
KXGSBBRPEPMUTK-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(O)cnc2
Properties
Complexity:
165
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:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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