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13177-28-1 | Fluoranthene, 1-nitro-
CAS No: 13177-28-1 Catalog No: AG000ZPR MDL No:
Product Description
Catalog Number:
AG000ZPR
Chemical Name:
Fluoranthene, 1-nitro-
CAS Number:
13177-28-1
Molecular Formula:
C16H9NO2
Molecular Weight:
247.2482
IUPAC Name:
1-nitrofluoranthene
InChI:
InChI=1S/C16H9NO2/c18-17(19)14-9-8-10-4-3-7-12-11-5-1-2-6-13(11)16(14)15(10)12/h1-9H
InChI Key:
AWYZHUPAWKZJSL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c3c1c1ccccc1c3ccc2
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.063g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.253g/mol
Monoisotopic Mass:
247.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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