6-chloro-3-phenyl-1-benzofuran-2-carboxylic acid

6-chloro-3-phenyl-1-benzofuran-2-carboxylic acid

CAS: 1208402-13-4

Formula: C15H9ClO3

SMILES: OC(=O)C1=C(C2=CC=C(Cl)C=C2O1)C1=CC=CC=C1

IUPAC: 6-chloro-3-phenyl-1-benzofuran-2-carboxylic acid

InChI: InChI=1S/C15H9ClO3/c16-10-6-7-11-12(8-10)19-14(15(17)18)13(11)9-4-2-1-3-5-9/h1-8H,(H,17,18)

Composition: C (66.07%), H (3.33%), Cl (13.00%), O (17.60%)

Molar Mass: 272.68

Atom Count: 28

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	272.0240218
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PJKPYMBVXIXFSZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.97
Topological Polar Surface Area	50.44
Polarizability	29.87
Ring Count	3
Rotatable Bond Count	2

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