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83277-53-6 | 9H-Carbazole, 9-(2-amino-1-oxo-3-phenylpropyl)-3-nitro-
CAS No: 83277-53-6 Catalog No: AG0055VN MDL No:
Product Description
Catalog Number:
AG0055VN
Chemical Name:
9H-Carbazole, 9-(2-amino-1-oxo-3-phenylpropyl)-3-nitro-
CAS Number:
83277-53-6
Molecular Formula:
C21H17N3O3
Molecular Weight:
359.3780
IUPAC Name:
2-amino-1-(3-nitrocarbazol-9-yl)-3-phenylpropan-1-one
InChI:
InChI=1S/C21H17N3O3/c22-18(12-14-6-2-1-3-7-14)21(25)23-19-9-5-4-8-16(19)17-13-15(24(26)27)10-11-20(17)23/h1-11,13,18H,12,22H2
InChI Key:
GIIZZMAXZFRPNT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c1ccccc1n2C(=O)C(Cc1ccccc1)N
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.127g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.385g/mol
Monoisotopic Mass:
359.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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