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Home > Nitro Compounds > 150473-03-3
150473-03-3 | Chrysene, 3-nitroso-
CAS No: 150473-03-3 Catalog No: AG001MNJ MDL No:
Product Description
Catalog Number:
AG001MNJ
Chemical Name:
Chrysene, 3-nitroso-
CAS Number:
150473-03-3
Molecular Formula:
C18H11NO
Molecular Weight:
257.2860
IUPAC Name:
3-nitrosochrysene
InChI:
InChI=1S/C18H11NO/c20-19-14-8-5-13-7-9-16-15-4-2-1-3-12(15)6-10-17(16)18(13)11-14/h1-11H
InChI Key:
CQZZESXMYMNTMF-UHFFFAOYSA-N
SMILES:
O=Nc1ccc2c(c1)c1ccc3c(c1cc2)cccc3
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.292g/mol
Monoisotopic Mass:
257.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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