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13019-32-4

13019-32-4

7-Bromoquinolin-8-ol

Synonyms
  • 7-bromoquinolin-8-ol
  • 13019-32-4
  • 7-Bromo-8-hydroxyquinoline
  • 8-quinolinol, 7-bromo-
  • 7-Bromo-8-quinolinol
Molecular Formula
C9H6BrNO

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Molecular Formula
C9H6BrNO
Iupac Name
7-bromoquinolin-8-ol
Canonical Smiles
C1=CC2=C(C(=C(C=C2)Br)O)N=C1
StdInChi
InChI=1S/C9H6BrNO/c10-7-4-3-6-2-1-5-11-8(6)9(7)12/h1-5,12H
StdInChiKey
ICKPMTNGWVNOGC-UHFFFAOYSA-N
Molecular Weight
224.05
Exact Mass
222.96328
Average Mass
224.054 Da
Monoisotopic Mass
222.96328
Boiling Point
327.9±22.0 °C at 760 mmHg
Experimental Melting Point
139.5 °C
Flash Point
152.1±22.3 °C
Density
1.7±0.1 g/cm3
Vapour Pressure
0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization
59.3±3.0 kJ/mol
Refractive Index
1.718
Molar Refractivity
51.8±0.3 cm3
Polar Surface Area
33.1 Ų
Polarizability
20.5±0.5 10-24cm3
Surface Tension
63.4±3.0 dyne/cm
Molar Volume
131.4±3.0 cm3
Experimental Logp
1.335
xLogP3AA
2.5
Acd LogP
2.92
Acd LogD Ph55
0.91
Acd Bcf Ph55
1.05
Acd Koc Ph55
10.67
Acd LogD Ph74
0.70
Acd Bcf Ph74
1.00
Acd Koc Ph74
6.50
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Heavy Atom Count
12
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently Bonded Unit Count
1
H Bond Acceptors
2
H Bond Donors
1
Freely Rotating Bonds
0
Rule of 5 Violations
0
Formal Charge
0
Complexity
165
Compound is Canonicalized
Yes

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