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245-50-1 | 1H-[1,4]Oxazino[4,3-a]benzimidazole (8CI,9CI)
CAS No: 245-50-1 Catalog No: AG002OC7 MDL No:
Product Description
Catalog Number:
AG002OC7
Chemical Name:
1H-[1,4]Oxazino[4,3-a]benzimidazole (8CI,9CI)
CAS Number:
245-50-1
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
IUPAC Name:
1H-[1,4]oxazino[4,3-a]benzimidazole
InChI:
InChI=1S/C10H8N2O/c1-2-4-9-8(3-1)11-10-7-13-6-5-12(9)10/h1-6H,7H2
InChI Key:
JHPDHUAEQAFGCY-UHFFFAOYSA-N
SMILES:
O1C=Cn2c(C1)nc1c2cccc1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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