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Home > Nitro Compounds > 161334-04-9
161334-04-9 | Ethanone, 1-(3-nitro-1-pyrenyl)-
CAS No: 161334-04-9 Catalog No: AG001SD0 MDL No:
Product Description
Catalog Number:
AG001SD0
Chemical Name:
Ethanone, 1-(3-nitro-1-pyrenyl)-
CAS Number:
161334-04-9
Molecular Formula:
C18H11NO3
Molecular Weight:
289.2848
IUPAC Name:
1-(3-nitropyren-1-yl)ethanone
InChI:
InChI=1S/C18H11NO3/c1-10(20)15-9-16(19(21)22)14-8-6-12-4-2-3-11-5-7-13(15)18(14)17(11)12/h2-9H,1H3
InChI Key:
AXAFHZQFUHIWOR-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.074g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.29g/mol
Monoisotopic Mass:
289.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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