methyl 4-[(chlorosulfonyl)methyl]benzoate

methyl 4-[(chlorosulfonyl)methyl]benzoate

CAS: 130047-14-2

Formula: C9H9ClO4S

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

IUPAC: methyl 4-[(chlorosulfonyl)methyl]benzoate

InChI: InChI=1S/C9H9ClO4S/c1-14-9(11)8-4-2-7(3-5-8)6-15(10,12)13/h2-5H,6H2,1H3

Composition: C (43.47%), H (3.65%), Cl (14.26%), O (25.73%), S (12.89%)

Molar Mass: 248.68

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	247.9910076
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	VTQZPLOSFBIFGF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.86
Topological Polar Surface Area	60.44
Polarizability	22.77
Ring Count	1
Rotatable Bond Count	4

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Key Organics Ltd

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90%	<2 Days	130047-14-2		$51.35-$86.31$51.35$63.37$86.31

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AA BLOCKS INC

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Kinentia Biosciences LLC

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