bromozinc(1+);4-chloro-2-fluoro-1-(phenylmethoxy)benzene

C13H9BrClFOZn — CID 146002358

IUPACbromozinc(1+);4-chloro-2-fluoro-1-(phenylmethoxy)benzene
SMILESFc1cc(Cl)ccc1OCc1cc[c-]cc1.[Zn+]Br
InChIInChI=1S/C13H9ClFO.BrH.Zn/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10;;/h2-8H,9H2;1H;/q-1;;+2/p-1
InChIKeyNAVSUEQKRKKBQY-UHFFFAOYSA-M
MW380.96 g/mol
LogP4.70
Rot. Bonds3

About bromozinc(1+);4-chloro-2-fluoro-1-(phenylmethoxy)benzene

bromozinc(1+);4-chloro-2-fluoro-1-(phenylmethoxy)benzene (PubChem CID 146002358) has the molecular formula C13H9BrClFOZn and a molecular weight of 380.96 g/mol. Its IUPAC name is bromozinc(1+);4-chloro-2-fluoro-1-(phenylmethoxy)benzene.

Molecular Properties

Compound Namebromozinc(1+);4-chloro-2-fluoro-1-(phenylmethoxy)benzene
PubChem CID146002358
Molecular FormulaC13H9BrClFOZn
Molecular Weight380.96 g/mol
Exact Mass377.88
IUPAC Namebromozinc(1+);4-chloro-2-fluoro-1-(phenylmethoxy)benzene
SMILESFc1cc(Cl)ccc1OCc1cc[c-]cc1.[Zn+]Br
InChIInChI=1S/C13H9ClFO.BrH.Zn/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10;;/h2-8H,9H2;1H;/q-1;;+2/p-1
InChIKeyNAVSUEQKRKKBQY-UHFFFAOYSA-M
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.96
LogP ≤ 54.70
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

bromozinc(1+);2-chloro-4-fluoro-1-(phenylmethoxy)benzene
CID 146002169
magnesium;2,4-difluoro-1-(phenylmethoxy)benzene;bromide
CID 91656518
bromozinc(1+);1,2-difluoro-4-(phenylmethoxy)benzene
CID 146001900
magnesium;1,4-difluoro-2-(phenylmethoxy)benzene;bromide
CID 91655643
1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686447
4-chloro-2-fluoro-1-(fluoromethoxy)benzene
CID 67335232
1-[(2-bromophenyl)methoxy]-4-chloro-2-fluorobenzene
CID 146004192
1-[4-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686772
N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686830
4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 107691588
magnesium;1-chloro-2-fluoro-4-(phenylmethoxy)benzene;bromide
CID 91656484
4-chloro-1-(4-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 142784638

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);4-chloro-2-fluoro-1-(phenylmethoxy)benzene?
The IUPAC name of bromozinc(1+);4-chloro-2-fluoro-1-(phenylmethoxy)benzene (CID 146002358) is bromozinc(1+);4-chloro-2-fluoro-1-(phenylmethoxy)benzene.
What is the SMILES notation for bromozinc(1+);4-chloro-2-fluoro-1-(phenylmethoxy)benzene?
The canonical SMILES for bromozinc(1+);4-chloro-2-fluoro-1-(phenylmethoxy)benzene is Fc1cc(Cl)ccc1OCc1cc[c-]cc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);4-chloro-2-fluoro-1-(phenylmethoxy)benzene?
The InChIKey is NAVSUEQKRKKBQY-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9ClFO.BrH.Zn/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10;;/h2-8H,9H2;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);4-chloro-2-fluoro-1-(phenylmethoxy)benzene?
bromozinc(1+);4-chloro-2-fluoro-1-(phenylmethoxy)benzene has a molecular weight of 380.96 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);4-chloro-2-fluoro-1-(phenylmethoxy)benzene is sourced from PubChem (CID 146002358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).