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Home > Nitro Compounds > 137975-89-4
137975-89-4 | 5H-1-Benzazepin-5-one, 1,2,3,4-tetrahydro-1-(4-nitrobenzoyl)-
CAS No: 137975-89-4 Catalog No: AG0017RZ MDL No:
Product Description
Catalog Number:
AG0017RZ
Chemical Name:
5H-1-Benzazepin-5-one, 1,2,3,4-tetrahydro-1-(4-nitrobenzoyl)-
CAS Number:
137975-89-4
Molecular Formula:
C17H14N2O4
Molecular Weight:
310.3041
IUPAC Name:
1-(4-nitrobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one
InChI:
InChI=1S/C17H14N2O4/c20-16-6-3-11-18(15-5-2-1-4-14(15)16)17(21)12-7-9-13(10-8-12)19(22)23/h1-2,4-5,7-10H,3,6,11H2
InChI Key:
KUCBNTWUKOGPPC-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(=O)c2c1cccc2)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.309g/mol
Monoisotopic Mass:
310.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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