Home Sulfos 3-(1H-1,2,3-benzotriazole-5-sulfonamido)benzoic acid

3-(1H-1,2,3-benzotriazole-5-sulfonamido)benzoic acid

CAS No.:
743440-18-8
Catalog Number:
AG01A9GY
Molecular Formula:
C13H10N4O4S
Molecular Weight:
318.3079
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Product Description
Catalog Number:
AG01A9GY
Chemical Name:
3-(1H-1,2,3-benzotriazole-5-sulfonamido)benzoic acid
CAS Number:
743440-18-8
Molecular Formula:
C13H10N4O4S
Molecular Weight:
318.3079
MDL Number:
MFCD05262721
IUPAC Name:
3-(2H-benzotriazol-5-ylsulfonylamino)benzoic acid
InChI:
InChI=1S/C13H10N4O4S/c18-13(19)8-2-1-3-9(6-8)16-22(20,21)10-4-5-11-12(7-10)15-17-14-11/h1-7,16H,(H,18,19)(H,14,15,17)
InChI Key:
JZHLQYJYUFAUKG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)NS(=O)(=O)c1ccc2c(c1)nn[nH]2
Properties
Complexity:
521  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.042g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
318.307g/mol
Monoisotopic Mass:
318.042g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties