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Home > Nitro Compounds > 89455-16-3
89455-16-3 | Chrysene, 4-nitro-
CAS No: 89455-16-3 Catalog No: AG00433D MDL No:
Product Description
Catalog Number:
AG00433D
Chemical Name:
Chrysene, 4-nitro-
CAS Number:
89455-16-3
Molecular Formula:
C18H11NO2
Molecular Weight:
273.2854
IUPAC Name:
4-nitrochrysene
InChI:
InChI=1S/C18H11NO2/c20-19(21)17-7-3-5-13-9-10-15-14-6-2-1-4-12(14)8-11-16(15)18(13)17/h1-11H
InChI Key:
UIXODYUOGZNODG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1c1ccc3c(c1cc2)cccc3
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.079g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.291g/mol
Monoisotopic Mass:
273.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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