1-bromo-2-(2-bromoethoxy)ethane;nitric acid;2-(2-nitrooxyethoxy)ethyl nitrate;silver

C8H17AgBr2N3O11 — CID 157458725

IUPAC1-bromo-2-(2-bromoethoxy)ethane;nitric acid;2-(2-nitrooxyethoxy)ethyl nitrate;silver
SMILESBrCCOCCBr.O=[N+]([O-])O.O=[N+]([O-])OCCOCCO[N+](=O)[O-].[Ag]
InChIInChI=1S/C4H8Br2O.C4H8N2O7.Ag.HNO3/c5-1-3-7-4-2-6;7-5(8)12-3-1-11-2-4-13-6(9)10;;2-1(3)4/h1-4H2;1-4H2;;(H,2,3,4)
InChIKeyMNDCVGGVWAUDNU-UHFFFAOYSA-N
MW598.91 g/mol
LogP0.86
Rot. Bonds12

About 1-bromo-2-(2-bromoethoxy)ethane;nitric acid;2-(2-nitrooxyethoxy)ethyl nitrate;silver

1-bromo-2-(2-bromoethoxy)ethane;nitric acid;2-(2-nitrooxyethoxy)ethyl nitrate;silver (PubChem CID 157458725) has the molecular formula C8H17AgBr2N3O11 and a molecular weight of 598.91 g/mol. Its IUPAC name is 1-bromo-2-(2-bromoethoxy)ethane;nitric acid;2-(2-nitrooxyethoxy)ethyl nitrate;silver.

Molecular Properties

Compound Name1-bromo-2-(2-bromoethoxy)ethane;nitric acid;2-(2-nitrooxyethoxy)ethyl nitrate;silver
PubChem CID157458725
Molecular FormulaC8H17AgBr2N3O11
Molecular Weight598.91 g/mol
Exact Mass595.83
IUPAC Name1-bromo-2-(2-bromoethoxy)ethane;nitric acid;2-(2-nitrooxyethoxy)ethyl nitrate;silver
SMILESBrCCOCCBr.O=[N+]([O-])O.O=[N+]([O-])OCCOCCO[N+](=O)[O-].[Ag]
InChIInChI=1S/C4H8Br2O.C4H8N2O7.Ag.HNO3/c5-1-3-7-4-2-6;7-5(8)12-3-1-11-2-4-13-6(9)10;;2-1(3)4/h1-4H2;1-4H2;;(H,2,3,4)
InChIKeyMNDCVGGVWAUDNU-UHFFFAOYSA-N
XLogP0.86
TPSA186.57 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500598.91
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-bromoethoxy)ethane;nitric acid;2-(2-nitrooxyethoxy)ethyl nitrate;silver?
The IUPAC name of 1-bromo-2-(2-bromoethoxy)ethane;nitric acid;2-(2-nitrooxyethoxy)ethyl nitrate;silver (CID 157458725) is 1-bromo-2-(2-bromoethoxy)ethane;nitric acid;2-(2-nitrooxyethoxy)ethyl nitrate;silver.
What is the SMILES notation for 1-bromo-2-(2-bromoethoxy)ethane;nitric acid;2-(2-nitrooxyethoxy)ethyl nitrate;silver?
The canonical SMILES for 1-bromo-2-(2-bromoethoxy)ethane;nitric acid;2-(2-nitrooxyethoxy)ethyl nitrate;silver is BrCCOCCBr.O=[N+]([O-])O.O=[N+]([O-])OCCOCCO[N+](=O)[O-].[Ag].
What is the InChIKey of 1-bromo-2-(2-bromoethoxy)ethane;nitric acid;2-(2-nitrooxyethoxy)ethyl nitrate;silver?
The InChIKey is MNDCVGGVWAUDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Br2O.C4H8N2O7.Ag.HNO3/c5-1-3-7-4-2-6;7-5(8)12-3-1-11-2-4-13-6(9)10;;2-1(3)4/h1-4H2;1-4H2;;(H,2,3,4).
What are the key properties of 1-bromo-2-(2-bromoethoxy)ethane;nitric acid;2-(2-nitrooxyethoxy)ethyl nitrate;silver?
1-bromo-2-(2-bromoethoxy)ethane;nitric acid;2-(2-nitrooxyethoxy)ethyl nitrate;silver has a molecular weight of 598.91 g/mol, XLogP of 0.86, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-bromoethoxy)ethane;nitric acid;2-(2-nitrooxyethoxy)ethyl nitrate;silver is sourced from PubChem (CID 157458725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).