Home Sulfos N-(3-Chlorophenylsulfonyl)-^b-alanine, 96%

N-(3-Chlorophenylsulfonyl)-^b-alanine, 96%

CAS No.:
690646-02-7
Catalog Number:
AG00FFUC
Molecular Formula:
C9H10ClNO4S
Molecular Weight:
263.6980
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Product Description
Catalog Number:
AG00FFUC
Chemical Name:
N-(3-Chlorophenylsulfonyl)-^b-alanine, 96%
CAS Number:
690646-02-7
Molecular Formula:
C9H10ClNO4S
Molecular Weight:
263.6980
MDL Number:
MFCD05866549
IUPAC Name:
3-[(3-chlorophenyl)sulfonylamino]propanoic acid
InChI:
InChI=1S/C9H10ClNO4S/c10-7-2-1-3-8(6-7)16(14,15)11-5-4-9(12)13/h1-3,6,11H,4-5H2,(H,12,13)
InChI Key:
JBXVVIWGDKGSGK-UHFFFAOYSA-N
SMILES:
OC(=O)CCNS(=O)(=O)c1cccc(c1)Cl
Properties
Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.002g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
263.692g/mol
Monoisotopic Mass:
263.002g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties