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136152-48-2 | 1H-Imidazole, 1-[(6-diazo-5,6-dihydro-5-oxo-1-naphthalenyl)sulfonyl]-
CAS No: 136152-48-2 Catalog No: AG007MVV MDL No:
Product Description
Catalog Number:
AG007MVV
Chemical Name:
1H-Imidazole, 1-[(6-diazo-5,6-dihydro-5-oxo-1-naphthalenyl)sulfonyl]-
CAS Number:
136152-48-2
Molecular Formula:
C13H8N4O3S
Molecular Weight:
300.2926
IUPAC Name:
2-diazonio-5-imidazol-1-ylsulfonylnaphthalen-1-olate
InChI:
InChI=1S/C13H8N4O3S/c14-16-11-5-4-9-10(13(11)18)2-1-3-12(9)21(19,20)17-7-6-15-8-17/h1-8H
InChI Key:
SCAUKSYMIVDJMM-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C1C=Cc2c(C1=O)cccc2S(=O)(=O)n1ccnc1
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.032g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.292g/mol
Monoisotopic Mass:
300.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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