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Home > Nitro Compounds > 85814-62-6
85814-62-6 | Ethanone, 1-(4-nitro-2,5-diphenyl-1H-pyrrol-3-yl)-
CAS No: 85814-62-6 Catalog No: AG004XEP MDL No:
Product Description
Catalog Number:
AG004XEP
Chemical Name:
Ethanone, 1-(4-nitro-2,5-diphenyl-1H-pyrrol-3-yl)-
CAS Number:
85814-62-6
Molecular Formula:
C18H14N2O3
Molecular Weight:
306.3154
IUPAC Name:
1-(4-nitro-2,5-diphenyl-1H-pyrrol-3-yl)ethanone
InChI:
InChI=1S/C18H14N2O3/c1-12(21)15-16(13-8-4-2-5-9-13)19-17(18(15)20(22)23)14-10-6-3-7-11-14/h2-11,19H,1H3
InChI Key:
FXYSVSIDFQLDBI-UHFFFAOYSA-N
SMILES:
CC(=O)c1c([nH]c(c1[N+](=O)[O-])c1ccccc1)c1ccccc1
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.321g/mol
Monoisotopic Mass:
306.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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