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139698-34-3 | Benzoic acid, 3-[[2-(phenylmethylene)hydrazinyl]sulfonyl]-
CAS No: 139698-34-3 Catalog No: AG001BIA MDL No:
Product Description
Catalog Number:
AG001BIA
Chemical Name:
Benzoic acid, 3-[[2-(phenylmethylene)hydrazinyl]sulfonyl]-
CAS Number:
139698-34-3
Molecular Formula:
C14H12N2O4S
Molecular Weight:
304.3211
IUPAC Name:
3-[(benzylideneamino)sulfamoyl]benzoic acid
InChI:
InChI=1S/C14H12N2O4S/c17-14(18)12-7-4-8-13(9-12)21(19,20)16-15-10-11-5-2-1-3-6-11/h1-10,16H,(H,17,18)
InChI Key:
BJOMBVFRFTYRJN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)S(=O)(=O)NN=Cc1ccccc1
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.052g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.32g/mol
Monoisotopic Mass:
304.052g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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