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3-Bromo-4-fluorobenzene-1-sulfonyl Chloride

3-Bromo-4-fluorobenzene-1-sulfonyl Chloride - CAS 631912-19-1

Catalog:	BB032046
Product Name:	3-Bromo-4-fluorobenzene-1-sulfonyl Chloride
CAS:	631912-19-1
Synonyms:	3-bromo-4-fluorobenzenesulfonyl chloride; 3-bromo-4-fluorobenzenesulfonyl chloride

Technical Data

Patents

Computed Properties

IUPAC Name:	3-bromo-4-fluorobenzenesulfonyl chloride
Description:	3-Bromo-4-fluorobenzene-1-sulfonyl Chloride (CAS# 631912-19-1) is a useful research chemical.
Molecular Weight:	273.51
Molecular Formula:	C6H3BrClFO2S
Canonical SMILES:	C1=CC(=C(C=C1S(=O)(=O)Cl)Br)F
InChI:	InChI=1S/C6H3BrClFO2S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3H
InChI Key:	BEEHKBVVTWJSRH-UHFFFAOYSA-N
MDL:	MFCD13185363
LogP:	3.59650

Publication Number	Title	Priority Date
US-2020407327-A1	Tead inhibitors and uses thereof	20190531
WO-2020243415-A2	Tead inhibitors and uses thereof	20190531
WO-2020243423-A1	Tead inhibitors and uses thereof	20190531
CN-110776508-A	BRD4 inhibitor and preparation method and application thereof	20180727
WO-2020020308-A1	Brd4 inhibitor, preparation method and use thereof	20180727

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Complexity:	251
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	271.87097
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	271.87097
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7