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Home > Nitro Compounds > 136950-74-8
136950-74-8 | Ethanone, 1-(5,8-dimethyl-6-nitro-9H-carbazol-3-yl)-
CAS No: 136950-74-8 Catalog No: AG0012LX MDL No:
Product Description
Catalog Number:
AG0012LX
Chemical Name:
Ethanone, 1-(5,8-dimethyl-6-nitro-9H-carbazol-3-yl)-
CAS Number:
136950-74-8
Molecular Formula:
C16H14N2O3
Molecular Weight:
282.2940
IUPAC Name:
1-(5,8-dimethyl-6-nitro-9H-carbazol-3-yl)ethanone
InChI:
InChI=1S/C16H14N2O3/c1-8-6-14(18(20)21)9(2)15-12-7-11(10(3)19)4-5-13(12)17-16(8)15/h4-7,17H,1-3H3
InChI Key:
VDVHPWXBFXZQGI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C)c2c(c1C)c1cc(ccc1[nH]2)C(=O)C
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.299g/mol
Monoisotopic Mass:
282.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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