Home Sulfos methyl 2-[[(aminocarbonyl)amino]sulfonyl]benzoate

methyl 2-[[(aminocarbonyl)amino]sulfonyl]benzoate

CAS No.:
95473-30-6
Catalog Number:
AG01DWX3
Molecular Formula:
C9H10N2O5S
Molecular Weight:
258.2511
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Product Description
Catalog Number:
AG01DWX3
Chemical Name:
methyl 2-[[(aminocarbonyl)amino]sulfonyl]benzoate
CAS Number:
95473-30-6
Molecular Formula:
C9H10N2O5S
Molecular Weight:
258.2511
MDL Number:
MFCD20131742
IUPAC Name:
methyl 2-(carbamoylsulfamoyl)benzoate
InChI:
InChI=1S/C9H10N2O5S/c1-16-8(12)6-4-2-3-5-7(6)17(14,15)11-9(10)13/h2-5H,1H3,(H3,10,11,13)
InChI Key:
SRCPGSKDFKGYHP-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1S(=O)(=O)NC(=O)N
UNII:
1242J3DQQO
Properties
Complexity:
400  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.031g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
258.248g/mol
Monoisotopic Mass:
258.031g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties