methyl 4-(chlorosulfonyl)-2,5-dimethylfuran-3-carboxylate

methyl 4-(chlorosulfonyl)-2,5-dimethylfuran-3-carboxylate

Formula: C8H9ClO5S

SMILES: COC(=O)C1=C(C)OC(C)=C1S(Cl)(=O)=O

IUPAC: methyl 4-(chlorosulfonyl)-2,5-dimethylfuran-3-carboxylate

InChI: InChI=1S/C8H9ClO5S/c1-4-6(8(10)13-3)7(5(2)14-4)15(9,11)12/h1-3H3

Composition: C (38.03%), H (3.59%), Cl (14.03%), O (31.66%), S (12.69%)

Molar Mass: 252.67

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	251.9859223
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	WVFXKTRRLNPSML-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.09
Topological Polar Surface Area	73.58
Polarizability	21.47
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C8H9ClO5S		Quote Only