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Home > Nitro Compounds > 89455-17-4
89455-17-4 | Chrysene, 5-nitro-
CAS No: 89455-17-4 Catalog No: AG00433C MDL No:
Product Description
Catalog Number:
AG00433C
Chemical Name:
Chrysene, 5-nitro-
CAS Number:
89455-17-4
Molecular Formula:
C18H11NO2
Molecular Weight:
273.2854
IUPAC Name:
5-nitrochrysene
InChI:
InChI=1S/C18H11NO2/c20-19(21)17-11-13-6-2-3-7-14(13)16-10-9-12-5-1-4-8-15(12)18(16)17/h1-11H
InChI Key:
QLZJJKYYXIPEGC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2ccccc2c2c1c1ccccc1cc2
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:
5.5
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