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7-BROMOMETHYL-BENZO[B]THIOPHENE structure

7-BROMOMETHYL-BENZO[B]THIOPHENE

 
1. Names and Identifiers
1.1 Name
7-BROMOMETHYL-BENZO[B]THIOPHENE
1.2 Synonyms
7-(BROMOMETHYL)-1-BENZOTHIOPHENE; 7-BROMOMETHYL-BENZO[B]THIOPHENE;
1.3 CAS No.
10133-24-1
1.4 CID
10751761
1.5 Molecular Formula
C9H7BrS
1.6 Inchi
InChI=1S/C9H7BrS/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5H,6H2
1.7 InChkey
CBWUJYGWPDPIFY-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC2=C(C(=C1)CBr)SC=C2
1.9 Isomers Smiles
C1=CC2=C(C(=C1)CBr)SC=C2
2. Synthesis Route
10133-24-1Total: 2 Synthesis Route
 
14315-15-2
14315-15-2 9 Suppliers
 
10133-24-1
10133-24-1 7 Suppliers
 
14315-15-2
14315-15-2 9 Suppliers
 
 
10133-24-1
10133-24-1 7 Suppliers
3. Precursor and Product
precursor:
4. Computed Properties
  • Molecular Weight:227.12088g/mol
  • Molecular Formula:C9H7BrS
  • Compound Is Canonicalized:True
  • Exact Mass:3.5
  • XLogP3-AA:225.94518
  • Monoisotopic Mass:225.94518
  • Complexity:138
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:28.2
  • Heavy Atom Count::11
  • 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:AAADcYBwAABAEAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAEgB8AAAGARAAAABTACEWACwAcAAAAiEAiBCAAADAIAgCBBIiBgAAKgIICKgERCAIAAggAAoiBcAgMAOAAACAAAEAAAAAAQAAAgAAAAAAAAAAA==
5. Toltal 7 Suppliers View more
Tel: Update Time:2019/02/26
Tel: Update Time:2024/03/04
Tel: Update Time:2019/02/23
Tel: Update Time:2019/11/25
Tel: Update Time:2019/11/25
6. Realated Product Infomation
 
 
 
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