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2632-10-2

2632-10-2

2-Bromo-1-(3,4-dichlorophenyl)ethanone

Synonyms
  • 2-Bromo-1-(3,4-dichlorophenyl)ethanone
  • 2632-10-2
  • 3,4-Dichlorophenacyl bromide
  • 2-Bromo-3',4'-dichloroacetophenone
  • 2-bromo-1-(3,4-dichlorophenyl)ethan-1-one
Molecular Formula
C8H5BrCl2O

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Molecular Formula
C8H5BrCl2O
Iupac Name
2-bromo-1-(3,4-dichlorophenyl)ethanone
Dtp Nci Cas Number
2632-10-2
Canonical Smiles
C1=CC(=C(C=C1C(=O)CBr)Cl)Cl
StdInChi
InChI=1S/C8H5BrCl2O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3H,4H2
StdInChiKey
PAKFHEFMTRCFAU-UHFFFAOYSA-N
Appearance
Not Available
Molecular Weight
267.93
Exact Mass
265.89008
Average Mass
267.935 Da
Monoisotopic Mass
265.89008
Boiling Point
338.5±32.0 °C at 760 mmHg
Experimental Boiling Point
338.5 °C
Experimental Melting Point
54-55 °C
Flash Point
158.5±25.1 °C
Density
1.7±0.1 g/cm3
Vapour Pressure
0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization
58.2±3.0 kJ/mol
Refractive Index
1.596
Molar Refractivity
53.8±0.3 cm3
Polar Surface Area
17.1 Ų
Polarizability
21.3±0.5 10-24cm3
Surface Tension
48.2±3.0 dyne/cm
Molar Volume
158.0±3.0 cm3
Experimental Logp
2.34
Acd LogP
3.60
Acd LogD Ph55
3.37
Acd Bcf Ph55
215.44
Acd Koc Ph55
1628.55
Acd LogD Ph74
3.37
Acd Bcf Ph74
215.44
Acd Koc Ph74
1628.55
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
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
1
H Bond Donors
0
Freely Rotating Bonds
2
Rule of 5 Violations
0
Formal Charge
0
Complexity
174
Compound is Canonicalized
Yes

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