(4-bromophenyl)-trimethoxysilane

C9H13BrO3Si — CID 14993398

IUPAC(4-bromophenyl)-trimethoxysilane
SMILESCO[Si](OC)(OC)c1ccc(Br)cc1
InChIInChI=1S/C9H13BrO3Si/c1-11-14(12-2,13-3)9-6-4-8(10)5-7-9/h4-7H,1-3H3
InChIKeyBRXDAEMGSYZHGK-UHFFFAOYSA-N
MW277.19 g/mol
LogP1.53
Rot. Bonds4

About (4-bromophenyl)-trimethoxysilane

(4-bromophenyl)-trimethoxysilane (PubChem CID 14993398) has the molecular formula C9H13BrO3Si and a molecular weight of 277.19 g/mol. Its IUPAC name is (4-bromophenyl)-trimethoxysilane.

Molecular Properties

Compound Name(4-bromophenyl)-trimethoxysilane
PubChem CID14993398
Molecular FormulaC9H13BrO3Si
Molecular Weight277.19 g/mol
Exact Mass275.98
IUPAC Name(4-bromophenyl)-trimethoxysilane
SMILESCO[Si](OC)(OC)c1ccc(Br)cc1
InChIInChI=1S/C9H13BrO3Si/c1-11-14(12-2,13-3)9-6-4-8(10)5-7-9/h4-7H,1-3H3
InChIKeyBRXDAEMGSYZHGK-UHFFFAOYSA-N
XLogP1.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-trimethoxysilane?
The IUPAC name of (4-bromophenyl)-trimethoxysilane (CID 14993398) is (4-bromophenyl)-trimethoxysilane.
What is the SMILES notation for (4-bromophenyl)-trimethoxysilane?
The canonical SMILES for (4-bromophenyl)-trimethoxysilane is CO[Si](OC)(OC)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-trimethoxysilane?
The InChIKey is BRXDAEMGSYZHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrO3Si/c1-11-14(12-2,13-3)9-6-4-8(10)5-7-9/h4-7H,1-3H3.
What are the key properties of (4-bromophenyl)-trimethoxysilane?
(4-bromophenyl)-trimethoxysilane has a molecular weight of 277.19 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-trimethoxysilane is sourced from PubChem (CID 14993398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).