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Home Sulfos N-[(4-Fluorophenyl)sulfonyl]-beta-alanine

N-[(4-Fluorophenyl)sulfonyl]-beta-alanine

CAS No.:
208121-88-4
Catalog Number:
AG002JI1
Molecular Formula:
C9H10FNO4S
Molecular Weight:
247.2434
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$88
- +
5g
98%
In Stock USA
United States
$313
- +
10g
98%
In Stock USA
United States
$538
- +
Product Description
Catalog Number:
AG002JI1
Chemical Name:
N-[(4-Fluorophenyl)sulfonyl]-beta-alanine
CAS Number:
208121-88-4
Molecular Formula:
C9H10FNO4S
Molecular Weight:
247.2434
MDL Number:
MFCD02361172
IUPAC Name:
3-[(4-fluorophenyl)sulfonylamino]propanoic acid
InChI:
InChI=1S/C9H10FNO4S/c10-7-1-3-8(4-2-7)16(14,15)11-6-5-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChI Key:
UDQZLIWXZJFLPD-UHFFFAOYSA-N
SMILES:
OC(=O)CCNS(=O)(=O)c1ccc(cc1)F
Properties
Complexity:
330  
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:
5  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Design and synthesis of non-peptidic inhibitors for the Syk C-terminal SH2 domain based on structure-based in-silico screening. Journal of medicinal chemistry 20011220
Properties