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Home > Nitro Compounds > 302911-79-1
302911-79-1 | 6-Phenanthridinol, 5-ethyl-5,6-dihydro-3,8-dinitro-6-phenyl-
CAS No: 302911-79-1 Catalog No: AG002ZHM MDL No:
Product Description
Catalog Number:
AG002ZHM
Chemical Name:
6-Phenanthridinol, 5-ethyl-5,6-dihydro-3,8-dinitro-6-phenyl-
CAS Number:
302911-79-1
Molecular Formula:
C21H17N3O5
Molecular Weight:
391.3768
IUPAC Name:
5-ethyl-3,8-dinitro-6-phenylphenanthridin-6-ol
InChI:
InChI=1S/C21H17N3O5/c1-2-22-20-13-16(24(28)29)9-11-18(20)17-10-8-15(23(26)27)12-19(17)21(22,25)14-6-4-3-5-7-14/h3-13,25H,2H2,1H3
InChI Key:
LPFQMSKRAJNKOH-UHFFFAOYSA-N
SMILES:
CCN1c2cc(ccc2c2c(C1(O)c1ccccc1)cc(cc2)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
629
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.117g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
391.383g/mol
Monoisotopic Mass:
391.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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