6-(2-chlorophenyl)-6-oxohexanoic acid

6-(2-chlorophenyl)-6-oxohexanoic acid

Formula: C12H13ClO3

SMILES: OC(=O)CCCCC(=O)C1=CC=CC=C1Cl

IUPAC: 6-(2-chlorophenyl)-6-oxohexanoic acid

InChI: InChI=1S/C12H13ClO3/c13-10-6-2-1-5-9(10)11(14)7-3-4-8-12(15)16/h1-2,5-6H,3-4,7-8H2,(H,15,16)

Composition: C (59.88%), H (5.44%), Cl (14.73%), O (19.94%)

Molar Mass: 240.68

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	240.055322
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YOIOTRBILKEUJT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.36
Topological Polar Surface Area	54.37
Polarizability	23.86
Ring Count	1
Rotatable Bond Count	6

Suppliers

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C12H13ClO3		Quote Only