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CAS 1034305-17-3 manufacturers and suppliers on PharmaCompass

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2-(5-Bromo-2-Fluorobenzyl)Benzo[B]Thiophene
Also known as: 1034305-17-3, 2-[(5-bromo-2-fluorophenyl)methyl]-1-benzothiophene, 2-(5-bromo-2-fluorobenzyl)benzothiophene, Benzo[b]thiophene, 2-[(5-bromo-2-fluorophenyl)methyl]-, 2-(5-bromo-2-fluorobenzyl)-1-benzothiophene, 2-[(5-bromo-2-fluorophenyl)methyl]-benzo[b]thiophene
Molecular Formula
C15H10BrFS
Molecular Weight
321.2  g/mol
InChI Key
IKGTVOQAJKYBGO-UHFFFAOYSA-N

1 2D Structure

2-(5-Bromo-2-Fluorobenzyl)Benzo[B]Thiophene

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[(5-bromo-2-fluorophenyl)methyl]-1-benzothiophene
2.1.2 InChI
InChI=1S/C15H10BrFS/c16-12-5-6-14(17)11(7-12)9-13-8-10-3-1-2-4-15(10)18-13/h1-8H,9H2
2.1.3 InChI Key
IKGTVOQAJKYBGO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)C=C(S2)CC3=C(C=CC(=C3)Br)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1034305-17-3

2. 2-[(5-bromo-2-fluorophenyl)methyl]-1-benzothiophene

3. 2-(5-bromo-2-fluorobenzyl)benzothiophene

4. Benzo[b]thiophene, 2-[(5-bromo-2-fluorophenyl)methyl]-

5. 2-(5-bromo-2-fluorobenzyl)-1-benzothiophene

6. 2-[(5-bromo-2-fluorophenyl)methyl]-benzo[b]thiophene

7. Mfcd28144826

8. Benzo[b]thiophene,2-((5-bromo-2-fluorophenyl)methyl)-

9. Benzo[b]thiophene,2-[(5-bromo-2-fluorophenyl)methyl]-

10. Schembl155503

11. Amy16552

12. Bcp12329

13. Cs-m2884

14. Akos024464817

15. Zinc113222386

16. Ds-8332

17. Ac-29055

18. Sy116155

19. 1-(benzo[b]thiophen-2-ylmethyl)-5-bromo-2-fluorobenzene

20. Benzo[b]thiophene, 2-[(5-bromo-2-fluorophenyl)methyl]-; 2-[(5-bromo-2-fluorophenyl)methyl]-benzo[b]thiophene

2.3 Create Date
2012-11-30
3 Chemical and Physical Properties
Molecular Weight 321.2 g/mol
Molecular Formula C15H10BrFS
XLogP35.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass319.96706 g/mol
Monoisotopic Mass319.96706 g/mol
Topological Polar Surface Area28.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity286
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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