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Chemical Product CAS:100347-63-55-Benzofuranol,4-bromo-6-[(diethylamino)methyl]-2-phenyl-


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  • Molecular Formula:

    C19H20 Br N O2
  • Molecular Weight:

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5-Benzofuranol,4-bromo-6-[(diethylamino)methy ( CASNO:100347-63-5 )

Identification and Related Records
CAS Registry number:
Iupac name:
Molecular Formula:
C19H20 Br N O2
Molecular Weight:
Canonical SMILES:
Chemical and Physical Properties
Boiling Point:
456.1°C at 760 mmHg
6.13E-09mmHg at 25°C
Refractive Index:
Flash Point:
Computed Properties:
Molecular Weight:374.2716 [g/mol]
Molecular Formula:C19H20BrNO2
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:5
Tautomer Count:3
Exact Mass:373.067741
MonoIsotopic Mass:373.067741
Topological Polar Surface Area:36.6
Heavy Atom Count:23
Formal Charge:0
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
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:3
Effective Rotor Count:5
Conformer Sampling RMSD:0.8
CID Conformer Count:10
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