Home Sulfos 3-(azetidine-1-sulfonyl)-4-fluorobenzoic acid

3-(azetidine-1-sulfonyl)-4-fluorobenzoic acid

CAS No.:
926259-66-7
Catalog Number:
AG019LIM
Molecular Formula:
C10H10FNO4S
Molecular Weight:
259.2541
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Product Description
Catalog Number:
AG019LIM
Chemical Name:
3-(azetidine-1-sulfonyl)-4-fluorobenzoic acid
CAS Number:
926259-66-7
Molecular Formula:
C10H10FNO4S
Molecular Weight:
259.2541
MDL Number:
MFCD09040968
IUPAC Name:
3-(azetidin-1-ylsulfonyl)-4-fluorobenzoic acid
InChI:
InChI=1S/C10H10FNO4S/c11-8-3-2-7(10(13)14)6-9(8)17(15,16)12-4-1-5-12/h2-3,6H,1,4-5H2,(H,13,14)
InChI Key:
HFNUPRVSIAWKLK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)S(=O)(=O)N1CCC1)F
Properties
Complexity:
401  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.031g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.251g/mol
Monoisotopic Mass:
259.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties