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4-Chloro-1-isobutyl-1H-pyrazole-5-sulfonyl chloride

4-Chloro-1-isobutyl-1H-pyrazole-5-sulfonyl chloride - CAS 1245823-43-1

Catalog:	BB051617
Product Name:	4-Chloro-1-isobutyl-1H-pyrazole-5-sulfonyl chloride
CAS:	1245823-43-1
Synonyms:	4-chloro-2-isobutyl-pyrazole-3-sulfonyl chloride; chloro[4-chloro-1-(2-methylpropyl)pyrazol-5-yl]sulfone

Technical Data

Computed Properties

IUPAC Name:	4-chloro-2-(2-methylpropyl)pyrazole-3-sulfonyl chloride
Molecular Weight:	257.14
Molecular Formula:	C7H10Cl2N2O2S
Canonical SMILES:	CC(C)CN1C(=C(C=N1)Cl)S(=O)(=O)Cl
InChI:	InChI=1S/C7H10Cl2N2O2S/c1-5(2)4-11-7(14(9,12)13)6(8)3-10-11/h3,5H,4H2,1-2H3
InChI Key:	ZPTUXEQBVSWCEZ-UHFFFAOYSA-N

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Related Functional Groups

Halides

[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[2367-82-0]
1,2,3,5-Tetrafluorobenzene

Oxygen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[77987-49-6]
Z-Glycinol
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Pyrazoles

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride

Sulfur Compounds

[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[874-87-3]
4-(Methylthio)benzyl chloride
[60-23-1]
Cysteamine
[1353995-46-6]
(R)-1-((2,4-Dichlorophenyl)sulfonyl)pyrrolidin-3-ol

Complexity:	289
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:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5