Home Other Building Blocks cyanomethyl 3-sulfamoylbenzoate

cyanomethyl 3-sulfamoylbenzoate

CAS No.:
929972-75-8
Catalog Number:
AG019KJJ
Molecular Formula:
C9H8N2O4S
Molecular Weight:
240.2358
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Product Description
Catalog Number:
AG019KJJ
Chemical Name:
cyanomethyl 3-sulfamoylbenzoate
CAS Number:
929972-75-8
Molecular Formula:
C9H8N2O4S
Molecular Weight:
240.2358
MDL Number:
MFCD09040538
IUPAC Name:
cyanomethyl 3-sulfamoylbenzoate
InChI:
InChI=1S/C9H8N2O4S/c10-4-5-15-9(12)7-2-1-3-8(6-7)16(11,13)14/h1-3,6H,5H2,(H2,11,13,14)
InChI Key:
LOFQLHADYYGGAN-UHFFFAOYSA-N
SMILES:
N#CCOC(=O)c1cccc(c1)S(=O)(=O)N
Properties
Complexity:
403  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.02g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.233g/mol
Monoisotopic Mass:
240.02g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties