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233-64-7 | Naphth[1,2-c][1,2,5]oxadiazole
CAS No: 233-64-7 Catalog No: AG002MTP MDL No:MFCD00957042
Product Description
Catalog Number:
AG002MTP
Chemical Name:
Naphth[1,2-c][1,2,5]oxadiazole
CAS Number:
233-64-7
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
MDL Number:
MFCD00957042
IUPAC Name:
benzo[g][2,1,3]benzoxadiazole
InChI:
InChI=1S/C10H6N2O/c1-2-4-8-7(3-1)5-6-9-10(8)12-13-11-9/h1-6H
InChI Key:
NJTRQUAVHGAZEB-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1nonc1cc2
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.171g/mol
Monoisotopic Mass:
170.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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