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Home > Nitro Compounds > 101606-96-6
101606-96-6 | Dibenzofuran, compd. with 2,4,6-trinitrophenol (1:1)
CAS No: 101606-96-6 Catalog No: AG0004YK MDL No:
Product Description
Catalog Number:
AG0004YK
Chemical Name:
Dibenzofuran, compd. with 2,4,6-trinitrophenol (1:1)
CAS Number:
101606-96-6
Molecular Formula:
C18H11N3O8
Molecular Weight:
397.2952
IUPAC Name:
dibenzofuran;2,4,6-trinitrophenol
InChI:
InChI=1S/C12H8O.C6H3N3O7/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-8H;1-2,10H
InChI Key:
BSFDHWVBKGPIRN-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)oc1c2cccc1.[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.055g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
397.299g/mol
Monoisotopic Mass:
397.055g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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