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76099-04-2 | 1,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole, 4,5-dihydro-1-(3-c hlorophenyl)-
CAS No: 76099-04-2 Catalog No: AG00GOXB MDL No:
Product Description
Catalog Number:
AG00GOXB
Chemical Name:
1,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole, 4,5-dihydro-1-(3-c hlorophenyl)-
CAS Number:
76099-04-2
IUPAC Name:
1-(3-chlorophenyl)-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene
InChI:
InChI=1S/C17H13ClN2O2/c18-12-5-3-4-11(8-12)17-16-19-14-6-1-2-7-15(14)20(16)9-13(22-17)10-21-17/h1-8,13H,9-10H2
InChI Key:
QYSDRADUFDGCMJ-UHFFFAOYSA-N
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.067g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.753g/mol
Monoisotopic Mass:
312.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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