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217-17-4 | Naphtho[1,2-d:5,6-d']bisoxazole(7CI,8CI,9CI)
CAS No: 217-17-4 Catalog No: AG007PDN MDL No:
Product Description
Catalog Number:
AG007PDN
Chemical Name:
Naphtho[1,2-d:5,6-d']bisoxazole(7CI,8CI,9CI)
CAS Number:
217-17-4
Molecular Formula:
C12H6N2O2
Molecular Weight:
210.1882
IUPAC Name:
[1,3]benzoxazolo[5,4-e][1,3]benzoxazole
InChI:
InChI=1S/C12H6N2O2/c1-3-9-12(14-6-15-9)8-2-4-10-11(7(1)8)13-5-16-10/h1-6H
InChI Key:
JZNAGFUVPDJVTK-UHFFFAOYSA-N
SMILES:
c1nc2c(o1)ccc1c2ccc2c1nco2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.043g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.192g/mol
Monoisotopic Mass:
210.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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