Home Sulfos 2-(4-(Methylsulfonyl)-2-nitrophenyl)acetic acid

2-(4-(Methylsulfonyl)-2-nitrophenyl)acetic acid

CAS No.:
929000-10-2
Catalog Number:
AG006KCW
Molecular Formula:
C9H9NO6S
Molecular Weight:
259.2359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$144
- +
5g
98%
In Stock USA
United States
$575
- +
Product Description
Catalog Number:
AG006KCW
Chemical Name:
2-(4-(Methylsulfonyl)-2-nitrophenyl)acetic acid
CAS Number:
929000-10-2
Molecular Formula:
C9H9NO6S
Molecular Weight:
259.2359
MDL Number:
MFCD09258635
IUPAC Name:
2-(4-methylsulfonyl-2-nitrophenyl)acetic acid
InChI:
InChI=1S/C9H9NO6S/c1-17(15,16)7-3-2-6(4-9(11)12)8(5-7)10(13)14/h2-3,5H,4H2,1H3,(H,11,12)
InChI Key:
XTYIZYUGJXPLRU-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)C
Properties
Complexity:
406  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.015g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.232g/mol
Monoisotopic Mass:
259.015g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties