4-(Chlorosulfonyl)phenyl Pivalate - CAS 150374-99-5

Catalog:	BB010530
Product Name:	4-(Chlorosulfonyl)phenyl Pivalate
CAS:	150374-99-5
Synonyms:	2,2-dimethylpropanoic acid (4-chlorosulfonylphenyl) ester; (4-chlorosulfonylphenyl) 2,2-dimethylpropanoate

Technical Data

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Computed Properties

IUPAC Name:	(4-chlorosulfonylphenyl) 2,2-dimethylpropanoate
Description:	4-(Chlorosulfonyl)phenyl Pivalate (CAS# 150374-99-5) is a useful research chemical.
Molecular Weight:	276.74
Molecular Formula:	C11H13ClO4S
Canonical SMILES:	CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)Cl
InChI:	InChI=1S/C11H13ClO4S/c1-11(2,3)10(13)16-8-4-6-9(7-5-8)17(12,14)15/h4-7H,1-3H3
InChI Key:	BSRSTUAZWZWGRT-UHFFFAOYSA-N
Boiling Point:	355.642 °C at 760 mmHg
Density:	1.298 g/cm³
MDL:	MFCD08274725
LogP:	3.64640

Publication Number	Title	Priority Date
WO-2018227053-A1	Non-chromatographic purification of macrocyclic peptides by a resin catch and release	20170609
US-2021079046-A1	Non-chromatographic purification of macrocyclic peptides by a resin catch and release	20170609
CN-104803894-A	Oxime-based compound, pharmaceutical composition containing the same and method for preparing the same	20140124
CN-104803894-B	Oxime-based compound, pharmaceutical composition containing the same and method for preparing the same	20140124
JP-2015145360-A	Oxime compound, pharmaceutical composition containing the same, and method for preparing the same	20140124

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Complexity:	369
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	276.0223078
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	276.0223078
Rotatable Bond Count:	4
Topological Polar Surface Area:	68.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1