2-Hydroxy-4'- (methylsulphonyl) acetophenone

CAT: 0127-OR15411Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

197240-27-0

Synonyms

2-Hydroxy-1-[4- (methylsulphonyl) phenyl]ethan-1-one

MDL Number

MFCD06200929

Purity

=95%

Smiles

CS(=O)(=O)c1ccc(cc1)C(=O)CO

Chemical Information

2-Hydroxy-1-[4-(methylsulfonyl)phenyl]-1-ethanone

CAS Number	197240-27-0
PubChem CID	2763578
IUPAC Name	2-hydroxy-1-(4-methylsulfonylphenyl)ethanone
Molecular Formula	C9H10O4S
Molecular Weight	214.24
XLogP	0.2
Topological Polar Surface Area	79.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	293

SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)CO

InChI

InChI=1S/C9H10O4S/c1-14(12,13)8-4-2-7(3-5-8)9(11)6-10/h2-5,10H,6H2,1H3

InChIKey

YYIVRXHJSZKUHR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 197240-27-0

CID: 2763578

Formula: C9H10O4S

MW: 214.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.24
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	214.02997997
Monoisotopic Mass	214.02997997
Topological Polar Surface Area	79.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	293
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1543	4'- (Methylsulphonyl) acetophenone
OR8512	4'-Methoxy-2- (methylsulphonyl) acetophenone
PC7223	4'-Fluoro-2- (methylsulphonyl) acetophenone
OR400811	4’-Bromo-2’- (methylsulphonyl) acetophenone
OR15481-01	4'-Bromo-2- (methylsulphonyl) acetophenone
OR9494-01	4'-Chloro-2- (methylsulphonyl) acetophenone
PC501914	4’-Fluoro-2’- (methylsulphonyl) acetophenone
PC1617-01	2- (Methylsulphonyl) -2'- (trifluoromethyl) acetophenone
OR400826	3’-Bromo-4’- (methylsulphonyl) acetophenone
PC501386-01	3'-Fluoro-4'- (methylsulphonyl) acetophenone

Catalog	Name
NAA37252-01	3'-Fluoro-4'- (methylsulphonyl) acetophenone
108598 500	4-Hydroxy Acetophenone
280026-01	2-Hydroxy-4-Iodo-Acetophenone
108590 500	2-Hydroxy Acetophenone
MBS5794953	4-Hydroxy-3-(2-hydroxyethyl)acetophenone
GTR19227536-01	4-Hydroxy-3- (2-hydroxyethyl) acetophenone
014550	2-Hydroxy-4- (tetrahydropyran-2-yloxy) acetophenone
RFA48219	4-Hydroxy-1- (methylsulphonyl) piperidine
FH67091-01	4-Hydroxy-3- (trifluoromethyl) acetophenone
sc-356928A	4'-Hydroxy-3'- (trifluoromethyl) acetophenone