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834887-52-4 | Ethane, 1,1'-oxybis[2,2-dibromo-2-nitro-
CAS No: 834887-52-4 Catalog No: AG004VPI MDL No:
Product Description
Catalog Number:
AG004VPI
Chemical Name:
Ethane, 1,1'-oxybis[2,2-dibromo-2-nitro-
CAS Number:
834887-52-4
Molecular Formula:
C4H4Br4N2O5
Molecular Weight:
479.7010
IUPAC Name:
1,1-dibromo-2-(2,2-dibromo-2-nitroethoxy)-1-nitroethane
InChI:
InChI=1S/C4H4Br4N2O5/c5-3(6,9(11)12)1-15-2-4(7,8)10(13)14/h1-2H2
InChI Key:
DSNVZWYQWNVXJI-UHFFFAOYSA-N
SMILES:
BrC([N+](=O)[O-])(COCC([N+](=O)[O-])(Br)Br)Br
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
479.681g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
479.701g/mol
Monoisotopic Mass:
475.685g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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