ethyl 3-(chlorosulfonyl)-1H-pyrazole-4-carboxylate

ethyl 3-(chlorosulfonyl)-1H-pyrazole-4-carboxylate

Formula: C6H7ClN2O4S

SMILES: CCOC(=O)C1=CNN=C1S(Cl)(=O)=O

IUPAC: ethyl 3-(chlorosulfonyl)-1H-pyrazole-4-carboxylate

InChI: InChI=1S/C6H7ClN2O4S/c1-2-13-6(10)4-3-8-9-5(4)14(7,11)12/h3H,2H2,1H3,(H,8,9)

Composition: C (30.20%), H (2.96%), Cl (14.85%), N (11.74%), O (26.82%), S (13.43%)

Molar Mass: 238.64

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	237.9815056
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	LEQLXEAEARQQJL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.03
Topological Polar Surface Area	89.12
Polarizability	19.77
Ring Count	1
Rotatable Bond Count	4

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<2 Days	C6H7ClN2O4S		$51.35-$1,580.85$51.35$63.37$86.31$235.98$1,119.81$1,580.85

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C6H7ClN2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00