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Home > Nitro Compounds > 88093-03-2
88093-03-2 | 9H-Carbazole, 9-acetyl-2-[3-(4-nitrophenyl)-1-oxo-2-propenyl]-
CAS No: 88093-03-2 Catalog No: AG004J5V MDL No:
Product Description
Catalog Number:
AG004J5V
Chemical Name:
9H-Carbazole, 9-acetyl-2-[3-(4-nitrophenyl)-1-oxo-2-propenyl]-
CAS Number:
88093-03-2
Molecular Formula:
C23H16N2O4
Molecular Weight:
384.3841
IUPAC Name:
1-(9-acetylcarbazol-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C23H16N2O4/c1-15(26)24-21-5-3-2-4-19(21)20-12-9-17(14-22(20)24)23(27)13-8-16-6-10-18(11-7-16)25(28)29/h2-14H,1H3
InChI Key:
CLPZDGJWBXGROX-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)n(C(=O)C)c1c2cccc1)C=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
677
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.111g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.391g/mol
Monoisotopic Mass:
384.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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