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Home > Imidazoles > 187942-48-9
187942-48-9 | Imidazo[2,1-d][1,3,5]oxadiazepine (9CI)
CAS No: 187942-48-9 Catalog No: AG002GLB MDL No:
Product Description
Catalog Number:
AG002GLB
Chemical Name:
Imidazo[2,1-d][1,3,5]oxadiazepine (9CI)
CAS Number:
187942-48-9
Molecular Formula:
C6H5N3O
Molecular Weight:
135.1234
IUPAC Name:
imidazo[2,1-d][1,3,5]oxadiazepine
InChI:
InChI=1S/C6H5N3O/c1-2-9-3-4-10-5-8-6(9)7-1/h1-5H
InChI Key:
PHECQCICSYIWCP-UHFFFAOYSA-N
SMILES:
O1C=Nc2n(C=C1)ccn2
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.126g/mol
Monoisotopic Mass:
135.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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