Home Sulfos 3-(aminosulfonyl)-4-fluorobenzoic acid

3-(aminosulfonyl)-4-fluorobenzoic acid

CAS No.:
1535-45-1
Catalog Number:
AG00ACYB
Molecular Formula:
C7H6FNO4S
Molecular Weight:
219.1902
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Product Description
Catalog Number:
AG00ACYB
Chemical Name:
3-(aminosulfonyl)-4-fluorobenzoic acid
CAS Number:
1535-45-1
Molecular Formula:
C7H6FNO4S
Molecular Weight:
219.1902
IUPAC Name:
4-fluoro-3-sulfamoylbenzoic acid
InChI:
InChI=1S/C7H6FNO4S/c8-5-2-1-4(7(10)11)3-6(5)14(9,12)13/h1-3H,(H,10,11)(H2,9,12,13)
InChI Key:
NGBMRUQCUCRKQN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)S(=O)(=O)N)F
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
219.186g/mol
Monoisotopic Mass:
219g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties