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100527-20-6 | Phenanthrene, 3,6-dinitro-
CAS No: 100527-20-6 Catalog No: AG000291 MDL No:
Product Description
Catalog Number:
AG000291
Chemical Name:
Phenanthrene, 3,6-dinitro-
CAS Number:
100527-20-6
Molecular Formula:
C14H8N2O4
Molecular Weight:
268.2243
IUPAC Name:
3,6-dinitrophenanthrene
InChI:
InChI=1S/C14H8N2O4/c17-15(18)11-5-3-9-1-2-10-4-6-12(16(19)20)8-14(10)13(9)7-11/h1-8H
InChI Key:
QLKQQDNTUYZGPA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1cc2)[N+](=O)[O-]
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.048g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.228g/mol
Monoisotopic Mass:
268.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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