4-nitrobenzoic acid;trimethylsilane

C10H15NO4Si — CID 175438853

IUPAC4-nitrobenzoic acid;trimethylsilane
SMILESC[SiH](C)C.O=C(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H5NO4.C3H10Si/c9-7(10)5-1-3-6(4-2-5)8(11)12;1-4(2)3/h1-4H,(H,9,10);4H,1-3H3
InChIKeyIRGJMBZLROIEAK-UHFFFAOYSA-N
MW241.32 g/mol
LogP2.40
Rot. Bonds2

About 4-nitrobenzoic acid;trimethylsilane

4-nitrobenzoic acid;trimethylsilane (PubChem CID 175438853) has the molecular formula C10H15NO4Si and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-nitrobenzoic acid;trimethylsilane.

Molecular Properties

Compound Name4-nitrobenzoic acid;trimethylsilane
PubChem CID175438853
Molecular FormulaC10H15NO4Si
Molecular Weight241.32 g/mol
Exact Mass241.08
IUPAC Name4-nitrobenzoic acid;trimethylsilane
SMILESC[SiH](C)C.O=C(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H5NO4.C3H10Si/c9-7(10)5-1-3-6(4-2-5)8(11)12;1-4(2)3/h1-4H,(H,9,10);4H,1-3H3
InChIKeyIRGJMBZLROIEAK-UHFFFAOYSA-N
XLogP2.40
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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 4-nitrobenzoic acid;trimethylsilane?
The IUPAC name of 4-nitrobenzoic acid;trimethylsilane (CID 175438853) is 4-nitrobenzoic acid;trimethylsilane.
What is the SMILES notation for 4-nitrobenzoic acid;trimethylsilane?
The canonical SMILES for 4-nitrobenzoic acid;trimethylsilane is C[SiH](C)C.O=C(O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitrobenzoic acid;trimethylsilane?
The InChIKey is IRGJMBZLROIEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO4.C3H10Si/c9-7(10)5-1-3-6(4-2-5)8(11)12;1-4(2)3/h1-4H,(H,9,10);4H,1-3H3.
What are the key properties of 4-nitrobenzoic acid;trimethylsilane?
4-nitrobenzoic acid;trimethylsilane has a molecular weight of 241.32 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitrobenzoic acid;trimethylsilane is sourced from PubChem (CID 175438853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).