3-chloro-6-methyl-1-benzothiophene-2-carboxylic acid

3-chloro-6-methyl-1-benzothiophene-2-carboxylic acid

CAS: 34576-96-0

Formula: C10H7ClO2S

SMILES: CC1=CC=C2C(Cl)=C(SC2=C1)C(O)=O

IUPAC: 3-chloro-6-methyl-1-benzothiophene-2-carboxylic acid

InChI: InChI=1S/C10H7ClO2S/c1-5-2-3-6-7(4-5)14-9(8(6)11)10(12)13/h2-4H,1H3,(H,12,13)

Composition: C (52.99%), H (3.11%), Cl (15.64%), O (14.12%), S (14.14%)

Molar Mass: 226.67

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	225.9855283
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	KWGVHWHFCFSQAZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.28
Topological Polar Surface Area	37.3
Polarizability	22.53
Ring Count	2
Rotatable Bond Count	1

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