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82121-06-0 | 7-Bromo-4-hydroxyquinoline
CAS No: 82121-06-0 Catalog No: AG0034DY MDL No:MFCD06659037
Product Description
Catalog Number:
AG0034DY
Chemical Name:
7-Bromo-4-hydroxyquinoline
CAS Number:
82121-06-0
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
MDL Number:
MFCD06659037
IUPAC Name:
7-bromo-1H-quinolin-4-one
InChI:
InChI=1S/C9H6BrNO/c10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-5H,(H,11,12)
InChI Key:
GGCBEWNXEGDQAP-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)nccc2O
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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