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Home > Nitro Compounds > 89738-90-9
89738-90-9 | 1H-3-Benzazepine, 2,3,4,5-tetrahydro-1-(4-nitrophenoxy)-
CAS No: 89738-90-9 Catalog No: AG0041LW MDL No:
Product Description
Catalog Number:
AG0041LW
Chemical Name:
1H-3-Benzazepine, 2,3,4,5-tetrahydro-1-(4-nitrophenoxy)-
CAS Number:
89738-90-9
Molecular Formula:
C16H16N2O3
Molecular Weight:
284.3098
IUPAC Name:
5-(4-nitrophenoxy)-2,3,4,5-tetrahydro-1H-3-benzazepine
InChI:
InChI=1S/C16H16N2O3/c19-18(20)13-5-7-14(8-6-13)21-16-11-17-10-9-12-3-1-2-4-15(12)16/h1-8,16-17H,9-11H2
InChI Key:
FVHARZUEEDVHOV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)OC1CNCCc2c1cccc2
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.315g/mol
Monoisotopic Mass:
284.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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