Home Nitros methyl 2-nitro-4-sulfamoylbenzoate

methyl 2-nitro-4-sulfamoylbenzoate

CAS No.:
1909319-34-1
Catalog Number:
AG01C1P4
Molecular Formula:
C8H8N2O6S
Molecular Weight:
260.2239
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Product Description
Catalog Number:
AG01C1P4
Chemical Name:
methyl 2-nitro-4-sulfamoylbenzoate
CAS Number:
1909319-34-1
Molecular Formula:
C8H8N2O6S
Molecular Weight:
260.2239
MDL Number:
MFCD29762669
IUPAC Name:
methyl 2-nitro-4-sulfamoylbenzoate
InChI:
InChI=1S/C8H8N2O6S/c1-16-8(11)6-3-2-5(17(9,14)15)4-7(6)10(12)13/h2-4H,1H3,(H2,9,14,15)
InChI Key:
NDQSHPHENRIJJY-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)N
Properties
Complexity:
409  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.01g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
260.22g/mol
Monoisotopic Mass:
260.01g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties