4-(2-chloroethanesulfonyl)butanoic acid

4-(2-chloroethanesulfonyl)butanoic acid

CAS: 121315-24-0

Formula: C6H11ClO4S

SMILES: OC(=O)CCCS(=O)(=O)CCCl

IUPAC: 4-(2-chloroethanesulfonyl)butanoic acid

InChI: InChI=1S/C6H11ClO4S/c7-3-5-12(10,11)4-1-2-6(8)9/h1-5H2,(H,8,9)

Composition: C (33.57%), H (5.17%), Cl (16.51%), O (29.81%), S (14.94%)

Molar Mass: 214.66

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	214.0066577
Formal Charge	0
FSP3	0.83
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XOPHFHGOBYWODX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.84
Topological Polar Surface Area	71.44
Polarizability	18.53
Ring Count	0
Rotatable Bond Count	6

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