2,3-dichloro-4-(ethanesulfonyl)benzoic acid

2,3-dichloro-4-(ethanesulfonyl)benzoic acid

CAS: 105917-76-8

Formula: C9H8Cl2O4S

SMILES: CCS(=O)(=O)C1=CC=C(C(O)=O)C(Cl)=C1Cl

IUPAC: 2,3-dichloro-4-(ethanesulfonyl)benzoic acid

InChI: InChI=1S/C9H8Cl2O4S/c1-2-16(14,15)6-4-3-5(9(12)13)7(10)8(6)11/h3-4H,2H2,1H3,(H,12,13)

Composition: C (38.18%), H (2.85%), Cl (25.04%), O (22.60%), S (11.32%)

Molar Mass: 283.12

Atom Count: 24

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	281.9520353
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VTMRWQTZIFUPPE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.59
Topological Polar Surface Area	71.44
Polarizability	24.53
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	105917-76-8		$51.35-$1,347.05$51.35$63.37$86.31$292.79$449.02$1,347.05