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CAS No.: | 90407-14-0 |
---|---|
Name: | 7-CHLORO-BENZO[B]THIOPHENE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H5ClS |
Molecular Weight: | 168.647 |
Synonyms: | 7-Chlorobenzo[b]thiophene; |
PSA: | 28.24000 |
LogP: | 3.55470 |
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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