1-Bromo-4-(propane-2-sulfonyl)benzene - CAS 70399-02-9

Catalog:	BB061986
Product Name:	1-Bromo-4-(propane-2-sulfonyl)benzene
CAS:	70399-02-9
Synonyms:	1-Bromo-4-(propane-2-sulfonyl)benzene; 1-Bromo-4-(isopropylsulfonyl)benzene; 1-bromo-4-propan-2-ylsulfonylbenzene; 1-bromo-4-isopropylsulfonyl-benzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-bromo-4-propan-2-ylsulfonylbenzene
Description:	1-Bromo-4-(propane-2-sulfonyl)benzene
Molecular Weight:	263.15
Molecular Formula:	C9H11BrO2S
Canonical SMILES:	CC(C)S(=O)(=O)C1=CC=C(C=C1)Br
InChI:	InChI=1S/C9H11BrO2S/c1-7(2)13(11,12)9-5-3-8(10)4-6-9/h3-7H,1-2H3
InChI Key:	WQZTWNHNXOSAAR-UHFFFAOYSA-N

Publication Number	Title	Priority Date
CN-112694497-A	Preparation method of 4-isopropylsulfonyl phenylboronic acid	20201225
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US-2019194167-A1	Di-substituted pyrazole compounds for the treatment of diseases	20160907
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	245
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	261.96631
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	261.96631
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8