1-[(4-Bromophenyl)sulfonyl]azetidine - CAS 530081-57-3

Catalog:	BB028015
Product Name:	1-[(4-Bromophenyl)sulfonyl]azetidine
CAS:	530081-57-3
Synonyms:	1-(4-bromophenyl)sulfonylazetidine; 1-(4-bromophenyl)sulfonylazetidine

Technical Data

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Computed Properties

IUPAC Name:	1-(4-bromophenyl)sulfonylazetidine
Description:	1-[(4-Bromophenyl)sulfonyl]azetidine (CAS# 530081-57-3) is a useful research chemical.
Molecular Weight:	276.15
Molecular Formula:	C9H10BrNO2S
Canonical SMILES:	C1CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br
InChI:	InChI=1S/C9H10BrNO2S/c10-8-2-4-9(5-3-8)14(12,13)11-6-1-7-11/h2-5H,1,6-7H2
InChI Key:	MDIDQNAFUFFXTB-UHFFFAOYSA-N
Boiling Point:	369.6 °C at 760 mmHg
Density:	1.668 g/cm³
LogP:	2.86220

Publication Number	Title	Priority Date
WO-2021127337-A1	Trpml modulators	20191219
CN-105837599-A	N-substituted-3,5-disubstituted benzamide compound, preparation method and application thereof	20150114
CN-107108656-A	N replaces 3,5 disubstituted benzenes Carbox amides and its preparation method and application	20150114
CN-107108656-B	N- substitution -3,5- disubstituted benzenes Carbox amide and its preparation method and application	20150114
WO-2016112863-A1	N-substituted-3,5-disubstituted benzamide compound and preparation method and application thereof	20150114

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Related Functional Groups

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Complexity:	286
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	274.96156
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	274.96156
Rotatable Bond Count:	2
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9