4-chloro-3-(chlorosulfonyl)benzoic acid

4-chloro-3-(chlorosulfonyl)benzoic acid

CAS: 2494-79-3

Formula: C7H4Cl2O4S

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

IUPAC: 4-chloro-3-(chlorosulfonyl)benzoic acid

InChI: InChI=1S/C7H4Cl2O4S/c8-5-2-1-4(7(10)11)3-6(5)14(9,12)13/h1-3H,(H,10,11)

Composition: C (32.96%), H (1.58%), Cl (27.80%), O (25.09%), S (12.57%)

Molar Mass: 255.07

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	253.9207352
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	LYBQQYNSZYSUMT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.31
Topological Polar Surface Area	71.44
Polarizability	20.89
Ring Count	1
Rotatable Bond Count	2

Suppliers

OTAVA LTD.

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<10 Days	2494-79-3		$90.91-$237.53$90.91$149.56$237.53

MFCD00625723

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	2494-79-3		$7.25-$63.14$7.25$9.32$21.74$35.19$63.14

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<6 Days	2494-79-3		$18.40-$55.20$18.40$55.20

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	2494-79-3		$69.36-$145.02$69.36$81.97$145.02

ChemBridge Corp.

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<4 Days	2494-79-3		$88.55$88.55

Chemcia Scientific, LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	2494-79-3		$143.75-$1,063.75$143.75$287.50$534.75$1,063.75