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Home > Nitro Compounds > 1817-76-1
1817-76-1 | Benzene, 1,1'-methylenebis[2,4-dinitro-
CAS No: 1817-76-1 Catalog No: AG00232A MDL No:
Product Description
Catalog Number:
AG00232A
Chemical Name:
Benzene, 1,1'-methylenebis[2,4-dinitro-
CAS Number:
1817-76-1
Molecular Formula:
C13H8N4O8
Molecular Weight:
348.2246
IUPAC Name:
1-[(2,4-dinitrophenyl)methyl]-2,4-dinitrobenzene
InChI:
InChI=1S/C13H8N4O8/c18-14(19)10-3-1-8(12(6-10)16(22)23)5-9-2-4-11(15(20)21)7-13(9)17(24)25/h1-4,6-7H,5H2
InChI Key:
MTDLIOADHKERAQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.034g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.227g/mol
Monoisotopic Mass:
348.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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