Home Amines 1017051-55-6
1017051-55-6,MFCD09945630
Catalog No.:AA00056M
1017051-55-6 | 5-Methyl-2-[(methylsulfonyl)amino]benzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$114.00   $80.00
- +
5g
97%
in stock  
$381.00   $267.00
- +
10g
97%
in stock  
$667.00   $467.00
- +
25g
97%
in stock  
$1,334.00   $934.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA00056M
Chemical Name:
5-Methyl-2-[(methylsulfonyl)amino]benzoic acid
CAS Number:
1017051-55-6
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD09945630
IUPAC Name:
2-(methanesulfonamido)-5-methylbenzoic acid
InChI:
InChI=1S/C9H11NO4S/c1-6-3-4-8(10-15(2,13)14)7(5-6)9(11)12/h3-5,10H,1-2H3,(H,11,12)
InChI Key:
IAVAVGYTZPNJLD-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(=O)O)NS(=O)(=O)C
Properties
Computed Properties
 
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
229.25g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
5-Methyl-2-(methylsulfonamido)benzoic acid 
1017051-55-6 
AKOS000190255 
ACN-049042 
MCULE-9634446518 
TRA0108655 
2-methanesulfonamido-5-methylbenzoic acid 
AJ-73802 
AS-31995 
SY015006 
5-Methyl-2-(methylsulfonamido)benzoicAcid 
2-(methanesulfonamido)-5-methylbenzoic acid 
5-methyl-2-[(methylsulfonyl)amino]benzoic acid 
AB0072290 
DB-058651 
RT-017096 
FT-0722810 
EN300-36321 
Z-4269 
MFCD09945630 (97+%) 
Benzoic acid, 5-methyl-2-[(methylsulfonyl)amino]- 
J-000482 
Z367678706 
AC1Q2HR3 
C9H11NO4S 
SCHEMBL222213 
CTK6B6474 
KS-00000CPJ 
6378AJ 
MFCD09945630 
ZINC19506716 
Literature
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