5-(4-chlorophenyl)furan-2-carboxylic acid

5-(4-chlorophenyl)furan-2-carboxylic acid

CAS: 41019-45-8

Formula: C11H7ClO3

SMILES: OC(=O)C1=CC=C(O1)C1=CC=C(Cl)C=C1

IUPAC: 5-(4-chlorophenyl)furan-2-carboxylic acid

InChI: InChI=1S/C11H7ClO3/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)

Composition: C (59.35%), H (3.17%), Cl (15.92%), O (21.56%)

Molar Mass: 222.62

Atom Count: 22

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	222.0083718
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XIPQHWUSDHTXOO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.52
Topological Polar Surface Area	50.44
Polarizability	22.36
Ring Count	2
Rotatable Bond Count	2

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