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76099-08-6 | 1,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole, 4,5-dihydro-1-(3-m ethoxyphenyl)-
CAS No: 76099-08-6 Catalog No: AG00GOWT MDL No:
Product Description
Catalog Number:
AG00GOWT
Chemical Name:
1,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole, 4,5-dihydro-1-(3-m ethoxyphenyl)-
CAS Number:
76099-08-6
IUPAC Name:
1-(3-methoxyphenyl)-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene
InChI:
InChI=1S/C18H16N2O3/c1-21-13-6-4-5-12(9-13)18-17-19-15-7-2-3-8-16(15)20(17)10-14(23-18)11-22-18/h2-9,14H,10-11H2,1H3
InChI Key:
KNLXMDDCEIBRBJ-UHFFFAOYSA-N
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.337g/mol
Monoisotopic Mass:
308.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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