bromobenzene;1,2,3,4,5-pentamethylbenzene;technetium;chloride

C17H21BrClTc- — CID 139171217

IUPACbromobenzene;1,2,3,4,5-pentamethylbenzene;technetium;chloride
SMILESBrc1ccccc1.Cc1cc(C)c(C)c(C)c1C.[Cl-].[Tc]
InChIInChI=1S/C11H16.C6H5Br.ClH.Tc/c1-7-6-8(2)10(4)11(5)9(7)3;7-6-4-2-1-3-5-6;;/h6H,1-5H3;1-5H;1H;/p-1
InChIKeyWIFQNYRWQUQCLR-UHFFFAOYSA-M
MW438.71 g/mol
LogP2.68
Rot. Bonds

About bromobenzene;1,2,3,4,5-pentamethylbenzene;technetium;chloride

bromobenzene;1,2,3,4,5-pentamethylbenzene;technetium;chloride (PubChem CID 139171217) has the molecular formula C17H21BrClTc- and a molecular weight of 438.71 g/mol. Its IUPAC name is bromobenzene;1,2,3,4,5-pentamethylbenzene;technetium;chloride.

Molecular Properties

Compound Namebromobenzene;1,2,3,4,5-pentamethylbenzene;technetium;chloride
PubChem CID139171217
Molecular FormulaC17H21BrClTc-
Molecular Weight438.71 g/mol
Exact Mass435.96
IUPAC Namebromobenzene;1,2,3,4,5-pentamethylbenzene;technetium;chloride
SMILESBrc1ccccc1.Cc1cc(C)c(C)c(C)c1C.[Cl-].[Tc]
InChIInChI=1S/C11H16.C6H5Br.ClH.Tc/c1-7-6-8(2)10(4)11(5)9(7)3;7-6-4-2-1-3-5-6;;/h6H,1-5H3;1-5H;1H;/p-1
InChIKeyWIFQNYRWQUQCLR-UHFFFAOYSA-M
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.71
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bromobenzene;1,2,3,4,5-pentamethylbenzene;technetium;chloride?
The IUPAC name of bromobenzene;1,2,3,4,5-pentamethylbenzene;technetium;chloride (CID 139171217) is bromobenzene;1,2,3,4,5-pentamethylbenzene;technetium;chloride.
What is the SMILES notation for bromobenzene;1,2,3,4,5-pentamethylbenzene;technetium;chloride?
The canonical SMILES for bromobenzene;1,2,3,4,5-pentamethylbenzene;technetium;chloride is Brc1ccccc1.Cc1cc(C)c(C)c(C)c1C.[Cl-].[Tc].
What is the InChIKey of bromobenzene;1,2,3,4,5-pentamethylbenzene;technetium;chloride?
The InChIKey is WIFQNYRWQUQCLR-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H16.C6H5Br.ClH.Tc/c1-7-6-8(2)10(4)11(5)9(7)3;7-6-4-2-1-3-5-6;;/h6H,1-5H3;1-5H;1H;/p-1.
What are the key properties of bromobenzene;1,2,3,4,5-pentamethylbenzene;technetium;chloride?
bromobenzene;1,2,3,4,5-pentamethylbenzene;technetium;chloride has a molecular weight of 438.71 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromobenzene;1,2,3,4,5-pentamethylbenzene;technetium;chloride is sourced from PubChem (CID 139171217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).