Home Sulfos 2-(2-fluoro-4-methylbenzenesulfonamido)acetic acid

2-(2-fluoro-4-methylbenzenesulfonamido)acetic acid

CAS No.:
1803595-47-2
Catalog Number:
AG01BBQL
Molecular Formula:
C9H10FNO4S
Molecular Weight:
247.2434
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Product Description
Catalog Number:
AG01BBQL
Chemical Name:
2-(2-fluoro-4-methylbenzenesulfonamido)acetic acid
CAS Number:
1803595-47-2
Molecular Formula:
C9H10FNO4S
Molecular Weight:
247.2434
MDL Number:
MFCD28145302
IUPAC Name:
2-[(2-fluoro-4-methylphenyl)sulfonylamino]acetic acid
InChI:
InChI=1S/C9H10FNO4S/c1-6-2-3-8(7(10)4-6)16(14,15)11-5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13)
InChI Key:
WUPCBEDWQDRQIZ-UHFFFAOYSA-N
SMILES:
OC(=O)CNS(=O)(=O)c1ccc(cc1F)C
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