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Home> Encyclopedia > Hot Product Listed 2   > 2-Benzofuranmethanol,5-bromo-a-(4-chlorophenyl)-3-methyl-
1187385-94-9 structure

2-Benzofuranmethanol,5-bromo-a-(4-chlorophenyl)-3-methyl-

Iupac Name:1-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-2,2,2-trifluoroethanone
CAS No.:1187385-94-9
Molecular Weight:338.128
Molecular Formula:C17H13CLN2O2 (isomer)
Names and Identifiers
Synonyms

(3-methyl-5-bromobenzofuran-2-yl)(4-chlorophenyl)methanol (5-bromo-3-methyl-1-benzofuran-2-yl)-(4-chlorophenyl)methanol (5-bromo-3-methyl-1-benzofuran-2-yl)(4-chlorophenyl)methanol 2-benzofuranmethanol, 5-bromo-alpha-(4-chlorophenyl)-3-methyl- 5-bromo-alpha-(4-chlorophenyl)-3-methyl-2-benzofuranmethanol AC1MJ9MW HE130745 LS-35122

Inchi
InChI=1S/C11H11BrF3N3O/c12-8-1-2-9(16-7-8)17-3-5-18(6-4-17)10(19)11(13,14)15/h1-2,7H,3-6H2
InChkey
NVHLCNLQVWVSBA-UHFFFAOYSA-N
Canonical Smiles
C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)C(F)(F)F
Properties
Boiling Point
391.2 ºC at 760 mmHg
Flash Point
290.6°C
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:338.128g/mol
  • Molecular Formula:C17H13CLN2O2
  • Compound Is Canonicalized:True
  • Exact Mass:337.004
  • Monoisotopic Mass:337.004
  • Complexity:332
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:36.4A^2
  • Heavy Atom Count:19
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzIYAAEAAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAAABgAAAHwBAAAABqADBkhQ9sJMIEACo ADN3dACCgCkxAiQJ2CA4ZLiIYOLAmZGUIAhohgLIyjYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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