Home Sulfos 2-(3-fluoro-5-methylbenzenesulfonamido)acetic acid

2-(3-fluoro-5-methylbenzenesulfonamido)acetic acid

CAS No.:
1803583-52-9
Catalog Number:
AG01BBMN
Molecular Formula:
C9H10FNO4S
Molecular Weight:
247.2434
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Product Description
Catalog Number:
AG01BBMN
Chemical Name:
2-(3-fluoro-5-methylbenzenesulfonamido)acetic acid
CAS Number:
1803583-52-9
Molecular Formula:
C9H10FNO4S
Molecular Weight:
247.2434
MDL Number:
MFCD28506057
IUPAC Name:
2-[(3-fluoro-5-methylphenyl)sulfonylamino]acetic acid
InChI:
InChI=1S/C9H10FNO4S/c1-6-2-7(10)4-8(3-6)16(14,15)11-5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13)
InChI Key:
ITSFEUZCYRHVPD-UHFFFAOYSA-N
SMILES:
OC(=O)CNS(=O)(=O)c1cc(C)cc(c1)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