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5930-28-9

5930-28-9

4-Amino-2,6-dichlorophenol

Synonyms
  • 4-Amino-2,6-dichlorophenol
  • 5930-28-9
  • 2,6-Dichloro-4-aminophenol
  • Phenol, 4-amino-2,6-dichloro-
  • 3,5-Dichloro-4-hydroxyaniline
Molecular Formula
C6H5Cl2NO

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Molecular Formula
C6H5Cl2NO
Iupac Name
4-amino-2,6-dichlorophenol
Dtp Nci Cas Number
5930-28-9
Canonical Smiles
C1=C(C=C(C(=C1Cl)O)Cl)N
StdInChi
InChI=1S/C6H5Cl2NO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H,9H2
StdInChiKey
KGEXISHTCZHGFT-UHFFFAOYSA-N
Appearance
Not Available
Molecular Weight
178.01
Exact Mass
176.9748192
Average Mass
178.016 Da
Monoisotopic Mass
176.9748192
Boiling Point
303.6±42.0 °C at 760 mmHg
Experimental Boiling Point
199.8 °C
Experimental Melting Point
167 °C
Flash Point
137.4±27.9 °C
Density
1.6±0.1 g/cm3
Vapour Pressure
0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization
56.6±3.0 kJ/mol
Refractive Index
1.661
Molar Refractivity
42.2±0.3 cm3
Polar Surface Area
46.2 Ų
Polarizability
16.7±0.5 10-24cm3
Surface Tension
61.9±3.0 dyne/cm
Molar Volume
114.0±3.0 cm3
Experimental Logp
1.397
Acd LogP
1.40
Acd LogD Ph55
2.17
Acd Bcf Ph55
26.27
Acd Koc Ph55
358.85
Acd LogD Ph74
1.83
Acd Bcf Ph74
11.94
Acd Koc Ph74
163.15
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
110
Compound is Canonicalized
Yes

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