bromozinc(1+);1-chloro-3-(phenoxymethyl)benzene

C13H10BrClOZn — CID 146001800

IUPACbromozinc(1+);1-chloro-3-(phenoxymethyl)benzene
SMILESClc1cccc(COc2c[c-]ccc2)c1.[Zn+]Br
InChIInChI=1S/C13H10ClO.BrH.Zn/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13;;/h1-2,4-9H,10H2;1H;/q-1;;+2/p-1
InChIKeyXRTCXXJJYKDPFP-UHFFFAOYSA-M
MW362.97 g/mol
LogP4.56
Rot. Bonds3

About bromozinc(1+);1-chloro-3-(phenoxymethyl)benzene

bromozinc(1+);1-chloro-3-(phenoxymethyl)benzene (PubChem CID 146001800) has the molecular formula C13H10BrClOZn and a molecular weight of 362.97 g/mol. Its IUPAC name is bromozinc(1+);1-chloro-3-(phenoxymethyl)benzene.

Molecular Properties

Compound Namebromozinc(1+);1-chloro-3-(phenoxymethyl)benzene
PubChem CID146001800
Molecular FormulaC13H10BrClOZn
Molecular Weight362.97 g/mol
Exact Mass359.89
IUPAC Namebromozinc(1+);1-chloro-3-(phenoxymethyl)benzene
SMILESClc1cccc(COc2c[c-]ccc2)c1.[Zn+]Br
InChIInChI=1S/C13H10ClO.BrH.Zn/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13;;/h1-2,4-9H,10H2;1H;/q-1;;+2/p-1
InChIKeyXRTCXXJJYKDPFP-UHFFFAOYSA-M
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.97
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 91655530
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CID 79075950

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);1-chloro-3-(phenoxymethyl)benzene?
The IUPAC name of bromozinc(1+);1-chloro-3-(phenoxymethyl)benzene (CID 146001800) is bromozinc(1+);1-chloro-3-(phenoxymethyl)benzene.
What is the SMILES notation for bromozinc(1+);1-chloro-3-(phenoxymethyl)benzene?
The canonical SMILES for bromozinc(1+);1-chloro-3-(phenoxymethyl)benzene is Clc1cccc(COc2c[c-]ccc2)c1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);1-chloro-3-(phenoxymethyl)benzene?
The InChIKey is XRTCXXJJYKDPFP-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H10ClO.BrH.Zn/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13;;/h1-2,4-9H,10H2;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1-chloro-3-(phenoxymethyl)benzene?
bromozinc(1+);1-chloro-3-(phenoxymethyl)benzene has a molecular weight of 362.97 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1-chloro-3-(phenoxymethyl)benzene is sourced from PubChem (CID 146001800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).