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1-Bromo-3-(isopropylsulfonyl)benzene

1-Bromo-3-(isopropylsulfonyl)benzene - CAS 70399-01-8

Catalog:	BB034147
Product Name:	1-Bromo-3-(isopropylsulfonyl)benzene
CAS:	70399-01-8
Synonyms:	1-bromo-3-propan-2-ylsulfonylbenzene; 1-bromo-3-propan-2-ylsulfonylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1-bromo-3-propan-2-ylsulfonylbenzene
Description:	1-Bromo-3-(isopropylsulfonyl)benzene (CAS# 70399-01-8) is a useful research chemical.
Molecular Weight:	263.15
Molecular Formula:	C9H11BrO2S
Canonical SMILES:	CC(C)S(=O)(=O)C1=CC(=CC=C1)Br
InChI:	InChI=1S/C9H11BrO2S/c1-7(2)13(11,12)9-5-3-4-8(10)6-9/h3-7H,1-2H3
InChI Key:	XPYUPOJVBBWILU-UHFFFAOYSA-N
MDL:	MFCD00091605
LogP:	3.71200

Publication Number	Title	Priority Date
WO-2019198024-A1	4-oxo-3,4-dihydroquinazoline compounds as inhibitors of human immunodeficiency virus replication	20180411
EP-3774775-A1	4-oxo-3,4-dihydroquinazoline compounds as inhibitors of human immunodeficiency virus replication	20180411
US-2021024503-A1	4-oxo-3,4-dihydroquinazoline compounds as inhibitors of human immunodeficiency virus replication	20180411
JP-2021521131-A	4-Oxo-3,4-dihydroquinazoline compounds as inhibitors of human immunodeficiency virus replication	20180411
DE-102017005091-A1	Substituted 3,4-dihydropyrido [2,3-b] pyrazine-2 (1H) -one	20160530

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Complexity:	253
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:	42.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9