4-methanesulfonylbenzoyl chloride

4-methanesulfonylbenzoyl chloride

CAS: 40913-92-6

Formula: C8H7ClO3S

SMILES: CS(=O)(=O)C1=CC=C(C=C1)C(Cl)=O

IUPAC: 4-methanesulfonylbenzoyl chloride

InChI: InChI=1S/C8H7ClO3S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3

Composition: C (43.95%), H (3.23%), Cl (16.21%), O (21.95%), S (14.66%)

Molar Mass: 218.65

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	217.980443
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	IPEIDGXNXFPGBG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.18
Topological Polar Surface Area	51.21
Polarizability	20.15
Ring Count	1
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	40913-92-6		$54.86-$692.42$54.86$81.77$199.76$692.42

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	40913-92-6		$51.70-$687.25$51.70$76.92$190.41$687.25