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Sulfur Compounds
1-sec-Butyl-4-chloro-1H-pyrazole-5-sulfonyl chloride

1-sec-Butyl-4-chloro-1H-pyrazole-5-sulfonyl chloride - CAS 1245823-93-1

Catalog:	BB043011
Product Name:	1-sec-Butyl-4-chloro-1H-pyrazole-5-sulfonyl chloride
CAS:	1245823-93-1
Synonyms:	4-Chloro-2-sec-butyl-pyrazole-3-sulfonyl chloride

Technical Data

Computed Properties

IUPAC Name:	2-butan-2-yl-4-chloropyrazole-3-sulfonyl chloride
Description:	1-sec-Butyl-4-chloro-1H-pyrazole-5-sulfonyl chloride (CAS# 1245823-93-1 ) is a useful research chemical.
Molecular Weight:	257.14
Molecular Formula:	C7H10Cl2N2O2S
Canonical SMILES:	CCC(C)N1C(=C(C=N1)Cl)S(=O)(=O)Cl
InChI:	InChI=1S/C7H10Cl2N2O2S/c1-3-5(2)11-7(14(9,12)13)6(8)4-10-11/h4-5H,3H2,1-2H3
InChI Key:	JKVQVXBDGFVEPA-UHFFFAOYSA-N

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Related Functional Groups

Halides

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Sulfur Compounds

[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[1879-16-9]
4-Methoxythioanisole

Complexity:	291
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	255.9840041
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	255.9840041
Rotatable Bond Count:	3
Topological Polar Surface Area:	60.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4