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86499-24-3 | 3-azido-2-Oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine
CAS No: 86499-24-3 Catalog No: AG004VAU MDL No:MFCD03426115
Product Description
Catalog Number:
AG004VAU
Chemical Name:
3-azido-2-Oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine
CAS Number:
86499-24-3
Molecular Formula:
C10H10N4O
Molecular Weight:
202.2126
MDL Number:
MFCD03426115
IUPAC Name:
3-azido-1,3,4,5-tetrahydro-1-benzazepin-2-one
InChI:
InChI=1S/C10H10N4O/c11-14-13-9-6-5-7-3-1-2-4-8(7)12-10(9)15/h1-4,9H,5-6H2,(H,12,15)
InChI Key:
PDFYKDYEFKYENU-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NC1CCc2c(NC1=O)cccc2
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.217g/mol
Monoisotopic Mass:
202.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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