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Home > Nitro Compounds > 137975-23-6
137975-23-6 | Methanone, (4-nitrophenyl)(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)-
CAS No: 137975-23-6 Catalog No: AG0017S0 MDL No:
Product Description
Catalog Number:
AG0017S0
Chemical Name:
Methanone, (4-nitrophenyl)(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)-
CAS Number:
137975-23-6
Molecular Formula:
C17H16N2O3
Molecular Weight:
296.3205
IUPAC Name:
(4-nitrophenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
InChI:
InChI=1S/C17H16N2O3/c20-17(14-8-10-15(11-9-14)19(21)22)18-12-4-3-6-13-5-1-2-7-16(13)18/h1-2,5,7-11H,3-4,6,12H2
InChI Key:
CXAYHVHFWUANGH-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCc2c1cccc2)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.326g/mol
Monoisotopic Mass:
296.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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