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Home > Nitro Compounds > 114790-09-9
114790-09-9 | Acephenanthrylene, nitro- (9CI)
CAS No: 114790-09-9 Catalog No: AG000F7F MDL No:
Product Description
Catalog Number:
AG000F7F
Chemical Name:
Acephenanthrylene, nitro- (9CI)
CAS Number:
114790-09-9
Molecular Formula:
C16H9NO2
Molecular Weight:
247.2482
IUPAC Name:
1-nitroacephenanthrylene
InChI:
InChI=1S/C16H9NO2/c18-17(19)14-8-7-10-5-6-12-9-11-3-1-2-4-13(11)16(14)15(10)12/h1-9H
InChI Key:
DNSJGYSXEAUJMS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c3c1c1ccccc1cc3C=C2
Properties
Complexity:
414
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:
4.7
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