1-(2,4-dichlorophenyl)cyclohexane-1-carboxylic acid

1-(2,4-dichlorophenyl)cyclohexane-1-carboxylic acid

CAS: 1039952-20-9

Formula: C13H14Cl2O2

SMILES: OC(=O)C1(CCCCC1)C1=C(Cl)C=C(Cl)C=C1

IUPAC: 1-(2,4-dichlorophenyl)cyclohexane-1-carboxylic acid

InChI: InChI=1S/C13H14Cl2O2/c14-9-4-5-10(11(15)8-9)13(12(16)17)6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,16,17)

Composition: C (57.16%), H (5.17%), Cl (25.96%), O (11.71%)

Molar Mass: 273.15

Atom Count: 31

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	272.0370851
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	AFBIJLOTJNPIIN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.05
Topological Polar Surface Area	37.3
Polarizability	26.79
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1039952-20-9		$1,860.00-$2,970.00$1,860.00$2,310.00$2,970.00