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76098-99-2 | 1,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole, 4,5-dihydro-1-(1,1 -dimethylethyl)-
CAS No: 76098-99-2 Catalog No: AG00GOWO MDL No:
Product Description
Catalog Number:
AG00GOWO
Chemical Name:
1,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole, 4,5-dihydro-1-(1,1 -dimethylethyl)-
CAS Number:
76098-99-2
IUPAC Name:
1-tert-butyl-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene
InChI:
InChI=1S/C15H18N2O2/c1-14(2,3)15-13-16-11-6-4-5-7-12(11)17(13)8-10(19-15)9-18-15/h4-7,10H,8-9H2,1-3H3
InChI Key:
DXQQMBKQEHQWCF-UHFFFAOYSA-N
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.137g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.321g/mol
Monoisotopic Mass:
258.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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