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Home > Nitro Compounds > 114790-07-7
114790-07-7 | Acephenanthrylene, 4-nitro-
CAS No: 114790-07-7 Catalog No: AG000F7H MDL No:
Product Description
Catalog Number:
AG000F7H
Chemical Name:
Acephenanthrylene, 4-nitro-
CAS Number:
114790-07-7
Molecular Formula:
C16H9NO2
Molecular Weight:
247.2482
IUPAC Name:
4-nitroacephenanthrylene
InChI:
InChI=1S/C16H9NO2/c18-17(19)15-9-11-8-10-4-1-2-5-12(10)13-6-3-7-14(15)16(11)13/h1-9H
InChI Key:
PQMWYFDULPYZLG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1=Cc2c3c1cccc3c1c(c2)cccc1
Properties
Complexity:
425
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:
4.5
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