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Home > Nitro Compounds > 17356-96-6
17356-96-6 | Anthracene, compd. with 2,4,6-trinitrophenol (1:1)
CAS No: 17356-96-6 Catalog No: AG001Z0P MDL No:
Product Description
Catalog Number:
AG001Z0P
Chemical Name:
Anthracene, compd. with 2,4,6-trinitrophenol (1:1)
CAS Number:
17356-96-6
Molecular Formula:
C20H13N3O7
Molecular Weight:
407.3331
IUPAC Name:
anthracene;2,4,6-trinitrophenol
InChI:
InChI=1S/C14H10.C6H3N3O7/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-10H;1-2,10H
InChI Key:
JMLDMHAHTGXSAZ-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)cc1c(c2)cccc1.[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O
NSC Number:
74951
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.075g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
407.338g/mol
Monoisotopic Mass:
407.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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