3-chloro-1-benzothiophene-2-carbonyl chloride

3-chloro-1-benzothiophene-2-carbonyl chloride

CAS: 21815-91-8

Formula: C9H4Cl2OS

SMILES: ClC(=O)C1=C(Cl)C2=CC=CC=C2S1

IUPAC: 3-chloro-1-benzothiophene-2-carbonyl chloride

InChI: InChI=1S/C9H4Cl2OS/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H

Composition: C (46.78%), H (1.74%), Cl (30.68%), O (6.92%), S (13.87%)

Molar Mass: 231.09

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	229.9359913
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	GWKSSMDJEWPKCM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.1
Topological Polar Surface Area	17.07
Polarizability	22.2
Ring Count	2
Rotatable Bond Count	1

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