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

CAS:100347-63-5
5-Benzofuranol,4-bromo-6-[(diethylamino)methyl]-2-phenyl-

  • CAS No:

    100347-63-5
  • Name:

    5-Benzofuranol,4-bromo-6-[(diethylamino)methyl]-2-phenyl-
  • Molecular Formula:

    C19H20 Br N O2
  • Molecular Weight:

    374.2716
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5-Benzofuranol,4-bromo-6-[(diethylamino)methy ( CASNO:100347-63-5 )

Identification and Related Records
Name:
5-Benzofuranol,4-bromo-6-[(diethylamino)methyl]-2-phenyl-
CAS Registry number:
100347-63-5
Iupac name:
4-bromo-6-(diethylaminomethyl)-2-phenyl-1-benzofuran-5-ol
Synonyms:
4-Bromo-6-(diethylaminomethyl)-2-phenyl-5-benzofuranol
5-BENZOFURANOL, 4-BROMO-6-(DIETHYLAMINOMETHYL)-2-PHENYL-
AC1L1NPW
AC1Q26JZ
LS-35269
4-bromo-6-(diethylaminomethyl)-2-phenyl-1-benzofuran-5-ol
4-bromo-6-[(diethylamino)methyl]-2-phenyl-1-benzofuran-5-ol
100347-63-5
Molecular Formula:
C19H20 Br N O2
Molecular Weight:
374.2716
Inchi:
InChI=1/C19H20BrNO2/c1-3-21(4-2)12-14-10-17-15(18(20)19(14)22)11-16(23-17)13-8-6-5-7-9-13/h5-11,22H,3-4,12H2,1-2H3
Canonical SMILES:
CCN(CC)CC1=CC2=C(C=C(O2)C3=CC=CC=C3)C(=C1O)Br
Chemical and Physical Properties
Density:
1.356g/cm3
Boiling Point:
456.1°C at 760 mmHg
Vapour:
6.13E-09mmHg at 25°C
Refractive Index:
1.626
Flash Point:
229.7°C
Computed Properties:
Molecular Weight:374.2716 [g/mol]
Molecular Formula:C19H20BrNO2
XLogP3-AA:4.9
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
Complexity:370
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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