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1783631-45-7 | 7-Isoquinolinol, 4-bromo-
CAS No: 1783631-45-7 Catalog No: AG0025YE MDL No:
Product Description
Catalog Number:
AG0025YE
Chemical Name:
7-Isoquinolinol, 4-bromo-
CAS Number:
1783631-45-7
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
IUPAC Name:
4-bromoisoquinolin-7-ol
InChI:
InChI=1S/C9H6BrNO/c10-9-5-11-4-6-3-7(12)1-2-8(6)9/h1-5,12H
InChI Key:
DWNWBRUGWWTJQN-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)cncc2Br
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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