Home Aminos 2-fluoro-5-(methanesulfinylamino)benzoic acid

2-fluoro-5-(methanesulfinylamino)benzoic acid

CAS No.:
1850966-36-7
Catalog Number:
AG01DZ4T
Molecular Formula:
C8H8FNO3S
Molecular Weight:
217.2174
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Product Description
Catalog Number:
AG01DZ4T
Chemical Name:
2-fluoro-5-(methanesulfinylamino)benzoic acid
CAS Number:
1850966-36-7
Molecular Formula:
C8H8FNO3S
Molecular Weight:
217.2174
MDL Number:
MFCD31616868
IUPAC Name:
2-fluoro-5-(methanesulfinamido)benzoic acid
InChI:
InChI=1S/C8H8FNO3S/c1-14(13)10-5-2-3-7(9)6(4-5)8(11)12/h2-4,10H,1H3,(H,11,12)
InChI Key:
IGRPJVZLUIJYTC-UHFFFAOYSA-N
SMILES:
CS(=O)Nc1ccc(c(c1)C(=O)O)F
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.021g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
217.214g/mol
Monoisotopic Mass:
217.021g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties