bromozinc(1+);1-chloro-2-(2-ethoxyethoxy)benzene-5-ide

C10H12BrClO2Zn — CID 146002290

IUPACbromozinc(1+);1-chloro-2-(2-ethoxyethoxy)benzene-5-ide
SMILESCCOCCOc1cc[c-]cc1Cl.[Zn+]Br
InChIInChI=1S/C10H12ClO2.BrH.Zn/c1-2-12-7-8-13-10-6-4-3-5-9(10)11;;/h4-6H,2,7-8H2,1H3;1H;/q-1;;+2/p-1
InChIKeyZODJYRGDQUJRDU-UHFFFAOYSA-M
MW344.95 g/mol
LogP3.40
Rot. Bonds5

About bromozinc(1+);1-chloro-2-(2-ethoxyethoxy)benzene-5-ide

bromozinc(1+);1-chloro-2-(2-ethoxyethoxy)benzene-5-ide (PubChem CID 146002290) has the molecular formula C10H12BrClO2Zn and a molecular weight of 344.95 g/mol. Its IUPAC name is bromozinc(1+);1-chloro-2-(2-ethoxyethoxy)benzene-5-ide.

Molecular Properties

Compound Namebromozinc(1+);1-chloro-2-(2-ethoxyethoxy)benzene-5-ide
PubChem CID146002290
Molecular FormulaC10H12BrClO2Zn
Molecular Weight344.95 g/mol
Exact Mass341.90
IUPAC Namebromozinc(1+);1-chloro-2-(2-ethoxyethoxy)benzene-5-ide
SMILESCCOCCOc1cc[c-]cc1Cl.[Zn+]Br
InChIInChI=1S/C10H12ClO2.BrH.Zn/c1-2-12-7-8-13-10-6-4-3-5-9(10)11;;/h4-6H,2,7-8H2,1H3;1H;/q-1;;+2/p-1
InChIKeyZODJYRGDQUJRDU-UHFFFAOYSA-M
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.95
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

magnesium;1-chloro-2-pentoxybenzene-5-ide;bromide
CID 91655989
2-amino-6-chloro-3-(2-ethoxyethoxy)benzonitrile
CID 82012914
[3-chloro-4-(2-ethoxyethoxy)phenyl]methanol
CID 55031367
4-chloro-2-(2-ethoxyethoxy)aniline
CID 62306206
1-chloro-4-(2-ethoxyethoxy)naphthalene
CID 112769647
N-[2-(2-chlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline
CID 54801723
1,4-dichloro-2-(3-ethoxypropoxy)benzene
CID 79005556
4,5-dichloro-2-(3-ethoxypropoxy)aniline
CID 107497934
1-[3-chloro-4-(2-ethoxyethoxy)phenyl]-N-methylethanamine
CID 62911552
1-bromo-2,3-dichloro-5-(2-ethoxyethoxy)benzene
CID 163990086
4-bromo-2-(2-ethoxyethoxy)aniline
CID 65342534
1-(2-ethoxyethoxy)-2,4-dimethylbenzene
CID 60644510

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);1-chloro-2-(2-ethoxyethoxy)benzene-5-ide?
The IUPAC name of bromozinc(1+);1-chloro-2-(2-ethoxyethoxy)benzene-5-ide (CID 146002290) is bromozinc(1+);1-chloro-2-(2-ethoxyethoxy)benzene-5-ide.
What is the SMILES notation for bromozinc(1+);1-chloro-2-(2-ethoxyethoxy)benzene-5-ide?
The canonical SMILES for bromozinc(1+);1-chloro-2-(2-ethoxyethoxy)benzene-5-ide is CCOCCOc1cc[c-]cc1Cl.[Zn+]Br.
What is the InChIKey of bromozinc(1+);1-chloro-2-(2-ethoxyethoxy)benzene-5-ide?
The InChIKey is ZODJYRGDQUJRDU-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12ClO2.BrH.Zn/c1-2-12-7-8-13-10-6-4-3-5-9(10)11;;/h4-6H,2,7-8H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1-chloro-2-(2-ethoxyethoxy)benzene-5-ide?
bromozinc(1+);1-chloro-2-(2-ethoxyethoxy)benzene-5-ide has a molecular weight of 344.95 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1-chloro-2-(2-ethoxyethoxy)benzene-5-ide is sourced from PubChem (CID 146002290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).