2-Aminophenyl phenyl sulfone - CAS 4273-98-7

Catalog:	BB025213
Product Name:	2-Aminophenyl phenyl sulfone
CAS:	4273-98-7
Synonyms:	2-(benzenesulfonyl)aniline

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Computed Properties

IUPAC Name:	2-(benzenesulfonyl)aniline
Description:	2-(Phenylsulfonyl)aniline (CAS# 4273-98-7) is a useful research chemical compound.
Molecular Weight:	233.29
Molecular Formula:	C12H11NO2S
Canonical SMILES:	C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2N
InChI:	InChI=1S/C12H11NO2S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-9H,13H2
InChI Key:	JBCUKQQIWSWEOK-UHFFFAOYSA-N
Boiling Point:	396 ℃
Purity:	98.0%
Density:	1.295 g/cm³
Appearance:	Off-white to beige powder
MDL:	MFCD00007706
LogP:	3.76360

Publication Number	Title	Priority Date
CN-112094303-A	Solid-supported metal organic complex and preparation method and application thereof	20201102
CN-112094303-B	Solid-supported metal organic complex and preparation method and application thereof	20201102
JP-2021109365-A	Color-developing compound dispersion and heat-sensitive recording material using it	20200109
JP-2021066832-A	Polyfunctional phenol resin, polyfunctional epoxy resin, curable resin composition containing them and cured product thereof	20191025
WO-2021075931-A1	Composition for preventing, alleviating or treating infectious disease caused by tuberculosis and non-tuberculous mycobacterial infection	20191018

PMID	Publication Date	Title	Journal
15962942	20050601	Prediction of genotoxicity of chemical compounds by statistical learning methods	Chemical research in toxicology
7684215	19930401	Diarylsulfones, a new chemical class of nonnucleoside antiviral inhibitors of human immunodeficiency virus type 1 reverse transcriptase	Antimicrobial agents and chemotherapy

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Complexity:	314
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.05104977
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	233.05104977
Rotatable Bond Count:	2
Topological Polar Surface Area:	68.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2