5-chloronaphthalene-1-carboxylic acid

5-chloronaphthalene-1-carboxylic acid

CAS: 16650-52-5

Formula: C11H7ClO2

SMILES: OC(=O)C1=CC=CC2=C(Cl)C=CC=C12

IUPAC: 5-chloronaphthalene-1-carboxylic acid

InChI: InChI=1S/C11H7ClO2/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h1-6H,(H,13,14)

Composition: C (63.94%), H (3.41%), Cl (17.16%), O (15.49%)

Molar Mass: 206.63

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	206.0134572
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CPGDMBASSDNQIS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.57
Topological Polar Surface Area	37.3
Polarizability	22.03
Ring Count	2
Rotatable Bond Count	1

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