6-chloro-1-benzofuran-2-carboxylic acid

6-chloro-1-benzofuran-2-carboxylic acid

CAS: 442125-04-4

Formula: C9H5ClO3

SMILES: OC(=O)C1=CC2=CC=C(Cl)C=C2O1

IUPAC: 6-chloro-1-benzofuran-2-carboxylic acid

InChI: InChI=1S/C9H5ClO3/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-4H,(H,11,12)

Composition: C (54.99%), H (2.56%), Cl (18.03%), O (24.42%)

Molar Mass: 196.59

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	195.9927217
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PWSOSTMTCRJPDX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.84
Topological Polar Surface Area	50.44
Polarizability	18.94
Ring Count	2
Rotatable Bond Count	1

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