Home Sulfos methyl 2-amino-4-methanesulfonylbenzoate

methyl 2-amino-4-methanesulfonylbenzoate

CAS No.:
158580-87-1
Catalog Number:
AG01BCAN
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
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Product Description
Catalog Number:
AG01BCAN
Chemical Name:
methyl 2-amino-4-methanesulfonylbenzoate
CAS Number:
158580-87-1
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD25959565
IUPAC Name:
methyl 2-amino-4-methylsulfonylbenzoate
InChI:
InChI=1S/C9H11NO4S/c1-14-9(11)7-4-3-6(5-8(7)10)15(2,12)13/h3-5H,10H2,1-2H3
InChI Key:
YLSWIJBTJFWIND-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1N)S(=O)(=O)C
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.25g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties