CID 18958386

C7H7BrSi — CID 18958386

IUPAC—
SMILESCc1ccccc1[Si]Br
InChIInChI=1S/C7H7BrSi/c1-6-4-2-3-5-7(6)9-8/h2-5H,1H3
InChIKeySGINGBMWLBJAES-UHFFFAOYSA-N
MW199.12 g/mol
LogP1.63
Rot. Bonds1

About CID 18958386

CID 18958386 (PubChem CID 18958386) has the molecular formula C7H7BrSi and a molecular weight of 199.12 g/mol.

Molecular Properties

Compound NameCID 18958386
PubChem CID18958386
Molecular FormulaC7H7BrSi
Molecular Weight199.12 g/mol
Exact Mass197.95
IUPAC Name—
SMILESCc1ccccc1[Si]Br
InChIInChI=1S/C7H7BrSi/c1-6-4-2-3-5-7(6)9-8/h2-5H,1H3
InChIKeySGINGBMWLBJAES-UHFFFAOYSA-N
XLogP1.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.12
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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azane;1,2-xylene
CID 174280305
CID 67414527
CID 67414527
CID 175071394
CID 175071394
CID 153322216
CID 153322216
CID 19905827
CID 19905827

Frequently Asked Questions

What is the IUPAC name of CID 18958386?
The IUPAC name of CID 18958386 (CID 18958386) is not available.
What is the SMILES notation for CID 18958386?
The canonical SMILES for CID 18958386 is Cc1ccccc1[Si]Br.
What is the InChIKey of CID 18958386?
The InChIKey is SGINGBMWLBJAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrSi/c1-6-4-2-3-5-7(6)9-8/h2-5H,1H3.
What are the key properties of CID 18958386?
CID 18958386 has a molecular weight of 199.12 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18958386 is sourced from PubChem (CID 18958386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).