ethyl 3-[4-(chlorosulfonyl)phenyl]-2,2-dimethylpropanoate

ethyl 3-[4-(chlorosulfonyl)phenyl]-2,2-dimethylpropanoate

CAS: 887355-04-6

Formula: C13H17ClO4S

SMILES: CCOC(=O)C(C)(C)CC1=CC=C(C=C1)S(Cl)(=O)=O

IUPAC: ethyl 3-[4-(chlorosulfonyl)phenyl]-2,2-dimethylpropanoate

InChI: InChI=1S/C13H17ClO4S/c1-4-18-12(15)13(2,3)9-10-5-7-11(8-6-10)19(14,16)17/h5-8H,4,9H2,1-3H3

Composition: C (51.23%), H (5.62%), Cl (11.63%), O (21.00%), S (10.52%)

Molar Mass: 304.79

Atom Count: 36

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	304.0536079
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	JELQKGCZSKGTBM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.75
Topological Polar Surface Area	60.44
Polarizability	30.06
Ring Count	1
Rotatable Bond Count	6

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