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Benzene Compoundschevron_right
10368-44-2

10368-44-2

trans-2-Bromo-2,3-dihydro-1H-inden-1-ol

Synonyms
  • 10368-44-2
  • trans-2-Bromo-2,3-dihydro-1H-inden-1-ol
  • trans-2-Bromo-1-indanol
  • trans-2-Bromo-1-hydroxyindane
  • (1R,2R)-2-bromo-2,3-dihydro-1H-inden-1-ol
Molecular Formula
C9H9BrO

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Molecular Formula
C9H9BrO
Iupac Name
(1R,2R)-2-bromo-2,3-dihydro-1H-inden-1-ol
Canonical Smiles
C1C(C(C2=CC=CC=C21)O)Br
StdInChi
InChI=1S/C9H9BrO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9,11H,5H2/t8-,9-/m1/s1
StdInChiKey
RTESDSDXFLYAKZ-RKDXNWHRSA-N
Molecular Weight
213.07
Exact Mass
211.98368
Average Mass
213.071 Da
Monoisotopic Mass
211.98368
Boiling Point
318.3±42.0 °C at 760 mmHg
Experimental Melting Point
130-131 °C
Flash Point
146.3±27.9 °C
Density
1.6±0.1 g/cm3
Vapour Pressure
0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization
59.1±3.0 kJ/mol
Refractive Index
1.658
Molar Refractivity
47.8±0.3 cm3
Polar Surface Area
20.2 Ų
Polarizability
19.0±0.5 10-24cm3
Surface Tension
57.9±3.0 dyne/cm
Molar Volume
129.9±3.0 cm3
Experimental Logp
1.474
xLogP3AA
1.9
Acd LogP
1.85
Acd LogD Ph55
1.99
Acd Bcf Ph55
19.02
Acd Koc Ph55
286.62
Acd LogD Ph74
1.99
Acd Bcf Ph74
19.02
Acd Koc Ph74
286.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Heavy Atom Count
11
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
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
1
Freely Rotating Bonds
0
Rule of 5 Violations
0
Formal Charge
0
Complexity
149
Compound is Canonicalized
Yes

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