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Home > Nitro Compounds > 116142-49-5
116142-49-5 | 4,7-Phenanthroline, 3,8-dimethyl-5-nitro-
CAS No: 116142-49-5 Catalog No: AG000BR8 MDL No:
Product Description
Catalog Number:
AG000BR8
Chemical Name:
4,7-Phenanthroline, 3,8-dimethyl-5-nitro-
CAS Number:
116142-49-5
Molecular Formula:
C14H11N3O2
Molecular Weight:
253.2560
IUPAC Name:
3,8-dimethyl-5-nitro-4,7-phenanthroline
InChI:
InChI=1S/C14H11N3O2/c1-8-3-5-10-11-6-4-9(2)16-14(11)13(17(18)19)7-12(10)15-8/h3-7H,1-2H3
InChI Key:
LWMNAZAATBKOHD-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(n1)cc(c1c2ccc(n1)C)[N+](=O)[O-]
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.261g/mol
Monoisotopic Mass:
253.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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