Home Sulfos 5-[(ethylamino)sulfonyl]-2-fluorobenzoic acid

5-[(ethylamino)sulfonyl]-2-fluorobenzoic acid

CAS No.:
632300-30-2
Catalog Number:
AG00JHBJ
Molecular Formula:
C9H10FNO4S
Molecular Weight:
247.2434
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Product Description
Catalog Number:
AG00JHBJ
Chemical Name:
5-[(ethylamino)sulfonyl]-2-fluorobenzoic acid
CAS Number:
632300-30-2
Molecular Formula:
C9H10FNO4S
Molecular Weight:
247.2434
MDL Number:
MFCD03765569
IUPAC Name:
5-(ethylsulfamoyl)-2-fluorobenzoic acid
InChI:
InChI=1S/C9H10FNO4S/c1-2-11-16(14,15)6-3-4-8(10)7(5-6)9(12)13/h3-5,11H,2H2,1H3,(H,12,13)
InChI Key:
QBGVEYAQSZDGOH-UHFFFAOYSA-N
SMILES:
CCNS(=O)(=O)c1ccc(c(c1)C(=O)O)F
Properties
Complexity:
351  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
247.24g/mol
Monoisotopic Mass:
247.031g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties