Benzo[b]thiophene, 7-chloro- supplier

Name
7-CHLORO-BENZO[B]THIOPHENE
EINECS
CAS No. 90407-14-0
Article Data2
CAS DataBase
Density
Solubility
Melting Point
Formula C₈H₅ClS
Boiling Point
Molecular Weight 168.647
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-Chlorobenzo[b]thiophene;
PSA 28.24000
LogP 3.55470

Benzo[b]thiophene, 7-chloro- Specification

This chemical is called Benzo[b]thiophene, 7-chloro-, and its IUPAC name is 7-chloro-1-benzothiophene. With the molecular formula of C₈H₅ClS, its molecular weight is 168.64. The CAS registry number of this chemical is 90407-14-0.

Other characteristics of the Benzo[b]thiophene, 7-chloro- can be summarised as followings: (1)XLogP3-AA: 3.6; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 0; (4)Rotatable Bond Count: 0; (5)Exact Mass: 167.980049; (6)MonoIsotopic Mass: 167.980049; (7)Topological Polar Surface Area: 28.2; (8)Heavy Atom Count: 10; (9)Formal Charge:0; (10)Complexity: 126; (11)Covalently-Bonded Unit Count: 1; (12)Feature 3D Ring Count: 2; (13)Effective Rotor Count: 0; (14)Conformer Sampling RMSD: 0.4; (15)CID Conformer Count: 1.

You can still convert the following datas into molecular structure:
1.Canonical SMILES: C1=CC2=C(C(=C1)Cl)SC=C2
2.InChI: InChI=1S/C8H5ClS/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5H
3.InChIKey: GKWIITWUDNYXMG-UHFFFAOYSA-N

Product Name

7-CHLORO-BENZO[B]THIOPHENE

Benzo[b]thiophene, 7-chloro- Specification

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