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16456-28-3 | Benzo[1,2-d:4,5-d']diisoxazole (8CI,9CI)
CAS No: 16456-28-3 Catalog No: AG001UXZ MDL No:
Product Description
Catalog Number:
AG001UXZ
Chemical Name:
Benzo[1,2-d:4,5-d']diisoxazole (8CI,9CI)
CAS Number:
16456-28-3
Molecular Formula:
C8H4N2O2
Molecular Weight:
160.1296
IUPAC Name:
[1,2]oxazolo[5,4-f][1,2]benzoxazole
InChI:
InChI=1S/C8H4N2O2/c1-5-3-9-12-8(5)2-6-4-10-11-7(1)6/h1-4H
InChI Key:
OCAKCBRYUFCNLX-UHFFFAOYSA-N
SMILES:
n1cc2c(o1)cc1c(c2)onc1
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.027g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.132g/mol
Monoisotopic Mass:
160.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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