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Home > Nitro Compounds > 87517-97-3
87517-97-3 | Phenanthrene, 1-methyl-9-nitro-
CAS No: 87517-97-3 Catalog No: AG004DJJ MDL No:
Product Description
Catalog Number:
AG004DJJ
Chemical Name:
Phenanthrene, 1-methyl-9-nitro-
CAS Number:
87517-97-3
Molecular Formula:
C15H11NO2
Molecular Weight:
237.2533
IUPAC Name:
1-methyl-9-nitrophenanthrene
InChI:
InChI=1S/C15H11NO2/c1-10-5-4-8-12-11-6-2-3-7-13(11)15(16(17)18)9-14(10)12/h2-9H,1H3
InChI Key:
FDXNCIJOOLPXJW-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1cc([N+](=O)[O-])c1c2cccc1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.258g/mol
Monoisotopic Mass:
237.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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