Home Sulfos Benzoic acid, 5-[(dimethylamino)sulfonyl]-2-fluoro-

Benzoic acid, 5-[(dimethylamino)sulfonyl]-2-fluoro-

CAS No.:
91103-94-5
Catalog Number:
AG00IGHH
Molecular Formula:
C9H10FNO4S
Molecular Weight:
247.2434
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00IGHH
Chemical Name:
Benzoic acid, 5-[(dimethylamino)sulfonyl]-2-fluoro-
CAS Number:
91103-94-5
Molecular Formula:
C9H10FNO4S
Molecular Weight:
247.2434
MDL Number:
MFCD06355944
IUPAC Name:
5-(dimethylsulfamoyl)-2-fluorobenzoic acid
InChI:
InChI=1S/C9H10FNO4S/c1-11(2)16(14,15)6-3-4-8(10)7(5-6)9(12)13/h3-5H,1-2H3,(H,12,13)
InChI Key:
SPLPERBFJNXJRZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1F)S(=O)(=O)N(C)C
Properties
Complexity:
362  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.031g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.24g/mol
Monoisotopic Mass:
247.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties