200,000+ products from a single source!

sales@angenechem.com

Home > Carboxes > 2076-88-2

2076-88-2

2076-88-2 | Benzo[b]thiophene, 2-(chloromethyl)-

CAS No: 2076-88-2 Catalog No: AG002J5I MDL No:MFCD08060638

Product Description

Catalog Number:
AG002J5I
Chemical Name:
Benzo[b]thiophene, 2-(chloromethyl)-
CAS Number:
2076-88-2
Molecular Formula:
C9H7ClS
Molecular Weight:
182.6699
MDL Number:
MFCD08060638
IUPAC Name:
2-(chloromethyl)-1-benzothiophene
InChI:
InChI=1S/C9H7ClS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H,6H2
InChI Key:
JHDSVVPTMIYVGV-UHFFFAOYSA-N
SMILES:
ClCc1cc2c(s1)cccc2

Properties

Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.996g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.665g/mol
Monoisotopic Mass:
181.996g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

Literature

Title Journal
Geometry and aromaticity in highly strained heterocyclic allenes: characterization of a 2,3-didehydro-2H-thiopyran. Organic letters 20050929

Related Products

© 2019 Angene International Limited. All rights Reserved.