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117-70-4 | Naphth[2,1-d]-1,2,3-oxadiazole-5-sulfonic acid
CAS No: 117-70-4 Catalog No: AG000DIE MDL No:
Product Description
Catalog Number:
AG000DIE
Chemical Name:
Naphth[2,1-d]-1,2,3-oxadiazole-5-sulfonic acid
CAS Number:
117-70-4
Molecular Formula:
C10H6N2O4S
Molecular Weight:
250.2306
IUPAC Name:
benzo[g][1,2,3]benzoxadiazole-5-sulfonic acid
InChI:
InChI=1S/C10H6N2O4S/c13-17(14,15)9-5-8-10(16-12-11-8)7-4-2-1-3-6(7)9/h1-5H,(H,13,14,15)
InChI Key:
OIDKWKZBMQUGNQ-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1cc2nnoc2c2c1cccc2
EC Number:
204-204-2
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.005g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.228g/mol
Monoisotopic Mass:
250.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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