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179314-60-4

179314-60-4

2-Amino-6-bromo-4-chlorophenol

Synonyms
  • 2-Amino-6-bromo-4-chlorophenol
  • 179314-60-4
  • SCHEMBL3355916
  • DTXSID70573594
  • 2-amino-6-bromo-4-chloro-phenol
Molecular Formula
C6H5BrClNO

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Molecular Formula
C6H5BrClNO
Iupac Name
2-amino-6-bromo-4-chlorophenol
Canonical Smiles
C1=C(C=C(C(=C1N)O)Br)Cl
StdInChi
InChI=1S/C6H5BrClNO/c7-4-1-3(8)2-5(9)6(4)10/h1-2,10H,9H2
StdInChiKey
ISKCLWHHJKNMKI-UHFFFAOYSA-N
Molecular Weight
222.47
Exact Mass
220.92430
Average Mass
222.467 Da
Monoisotopic Mass
220.92430
Boiling Point
282.5±40.0 °C at 760 mmHg
Experimental Melting Point
83-87 °C
Flash Point
124.7±27.3 °C
Density
1.9±0.1 g/cm3
Vapour Pressure
0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization
54.2±3.0 kJ/mol
Refractive Index
1.685
Molar Refractivity
45.0±0.3 cm3
Polar Surface Area
46.2 Ų
Polarizability
17.8±0.5 10-24cm3
Surface Tension
64.0±3.0 dyne/cm
Molar Volume
118.3±3.0 cm3
Experimental Logp
2.002
xLogP3AA
2.2
Acd LogP
3.00
Acd LogD Ph55
2.77
Acd Bcf Ph55
74.86
Acd Koc Ph55
762.33
Acd LogD Ph74
2.64
Acd Bcf Ph74
55.13
Acd Koc Ph74
561.47
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Heavy Atom Count
10
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
3
Freely Rotating Bonds
0
Rule of 5 Violations
0
Formal Charge
0
Complexity
124
Compound is Canonicalized
Yes

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