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13177-31-6 | Fluoranthene, 7-nitro-
CAS No: 13177-31-6 Catalog No: AG000ZPP MDL No:
Product Description
Catalog Number:
AG000ZPP
Chemical Name:
Fluoranthene, 7-nitro-
CAS Number:
13177-31-6
Molecular Formula:
C16H9NO2
Molecular Weight:
247.2482
IUPAC Name:
7-nitrofluoranthene
InChI:
InChI=1S/C16H9NO2/c18-17(19)14-9-3-7-12-11-6-1-4-10-5-2-8-13(15(10)11)16(12)14/h1-9H
InChI Key:
JBCOKTTXCKLQBB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1c1cccc3c1c2ccc3
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:
5
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