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5345-27-7,MFCD00216488
Catalog No.:AA003I66
5345-27-7 | 3-(Methylsulfonyl)benzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$15.00   $10.00
- +
5g
97%
in stock  
$26.00   $18.00
- +
25g
97%
in stock  
$115.00   $80.00
- +
100g
97%
in stock  
$445.00   $312.00
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003I66
Chemical Name:
3-(Methylsulfonyl)benzoic acid
CAS Number:
5345-27-7
Molecular Formula:
C8H8O4S
Molecular Weight:
200.2117
MDL Number:
MFCD00216488
IUPAC Name:
3-methylsulfonylbenzoic acid
InChI:
InChI=1S/C8H8O4S/c1-13(11,12)7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChI Key:
KUTBMATZUQWFSR-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)S(=O)(=O)C
NSC Number:
3019
Properties
Computed Properties
 
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.014g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.208g/mol
Monoisotopic Mass:
200.014g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

Synonyms
 
3-(methylsulfonyl)benzoic acid 
5345-27-7 
MFCD00216488 
NSC3019 
3-Mesylbenzoic acid 
PubChem10870 
AC1Q4GGY 
AC1Q6TQY 
ACMC-1AUQ1 
3-(Methylsulfonyl)Benzoate 
AC1L58PN 
AC1Q4GK1 
3-(methylsulphonyl)benzoic acid 
Oprea1_361726 
SCHEMBL28004 
KSC493E1T 
CHEMBL98530 
3-Methanesulfonyl benzoic acid 
3-methylsulphonyl benzoic acid 
3-Methylsulphonyl-benzoic acid 
3-methyl sulfonyl benzoic acid 
3-Carboxyphenyl methyl sulphone 
3-methanesulphonyl benzoic acid 
3-methylsulphonylbenzoic acid 
3-(methylsulfonyl)-benzoic acid 
CTK3J3219 
DTXSID80277596 
KUTBMATZUQWFSR-UHFFFAOYSA-N 
HMS1727E21 
ZINC153770 
ACN-S004095 
KS-000010MZ 
NSC-3019 
3-Methylsulphonylbenzoic acid, 95% 
3-Methylsulfonyl benzoic acid 
ANW-31754 
BBL103444 
CCG-44860 
SBB005804 
STL557254 
AKOS000117756 
AC-2886 
CS-W002527 
MCULE-9684146533 
PS-5434 
3-methylsulfonylbenzoic acid 
RP25776 
RTR-018907 
TRA0035361 
VZ35154 
AJ-13084 
AK-24706 
BP-11356 
BR-24706 
L553 
SC-26856 
3-methanesulfonylbenzoic acid 
SC-62190 
SY003256 
3-(Methylsulfonyl)benzoic acid, AldrichCPR 
AB0014770 
DB-002057 
TL8006872 
TR-018907 
AM20061058 
FT-0650117 
ST24022619 
3-Methanesulfonyl-benzoic acid 
ST50319411 
EN300-10083 
M-5768 
AE-641/00128046 
J-510896 
SR-01000634668-1 
F2117-0008 
3- benzoicacid 
3-Methylsulphonylbenzoicacid 
C8H8O4S 
3-(methanesulfonyl)benzoic acid 
AR-1E7815 
CID220380 
3-(Methylsulfonyl)benzoic acid, 98% 1g 
3-Methylsulphonylbenzoic acid, 98% - 1G 1g 
2-METHYL-1-(NAPHTHALEN-2-YL)PROPAN-2-AMINE 
59373-54-5 
Benzoic acid, 3-(methylsulfonyl)- 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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