Name: Name:Ethanone, 1-benzo[b]thien-3-yl-2-chloro-
Brand: Angene
SKU: AG002RYB
Rating: 90 (10 reviews)

Ethanone, 1-benzo[b]thien-3-yl-2-chloro-

CAS No.:

26167-44-2

Catalog Number:

AG002RYB

Molecular Formula:

C10H7ClOS

Molecular Weight:

210.6800

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Product Description

Catalog Number:

AG002RYB

Chemical Name:

Ethanone, 1-benzo[b]thien-3-yl-2-chloro-

CAS Number:

26167-44-2

Molecular Formula:

C10H7ClOS

Molecular Weight:

210.6800

MDL Number:

MFCD00057142

IUPAC Name:

1-(1-benzothiophen-3-yl)-2-chloroethanone

InChI:

InChI=1S/C10H7ClOS/c11-5-9(12)8-6-13-10-4-2-1-3-7(8)10/h1-4,6H,5H2

InChI Key:

OTWORIPHJRKXBR-UHFFFAOYSA-N

SMILES:

ClCC(=O)c1csc2c1cccc2

Properties

Complexity:

207

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

209.991g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

210.675g/mol

Monoisotopic Mass:

209.991g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4

Literature

Title	Journal
Prediction of genotoxicity of chemical compounds by statistical learning methods.	Chemical research in toxicology 20050601