zinc;2-phenylacetyl chloride;dichloride

C8H7Cl3OZn — CID 175497500

IUPACzinc;2-phenylacetyl chloride;dichloride
SMILESO=C(Cl)Cc1ccccc1.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C8H7ClO.2ClH.Zn/c9-8(10)6-7-4-2-1-3-5-7;;;/h1-5H,6H2;2*1H;/q;;;+2/p-2
InChIKeyOYJBCIIBQMESGP-UHFFFAOYSA-L
MW290.89 g/mol
LogP-4.00
Rot. Bonds2

About zinc;2-phenylacetyl chloride;dichloride

zinc;2-phenylacetyl chloride;dichloride (PubChem CID 175497500) has the molecular formula C8H7Cl3OZn and a molecular weight of 290.89 g/mol. Its IUPAC name is zinc;2-phenylacetyl chloride;dichloride.

Molecular Properties

Compound Namezinc;2-phenylacetyl chloride;dichloride
PubChem CID175497500
Molecular FormulaC8H7Cl3OZn
Molecular Weight290.89 g/mol
Exact Mass287.89
IUPAC Namezinc;2-phenylacetyl chloride;dichloride
SMILESO=C(Cl)Cc1ccccc1.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C8H7ClO.2ClH.Zn/c9-8(10)6-7-4-2-1-3-5-7;;;/h1-5H,6H2;2*1H;/q;;;+2/p-2
InChIKeyOYJBCIIBQMESGP-UHFFFAOYSA-L
XLogP-4.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.89
LogP ≤ 5-4.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzylphenyl)acetyl chloride
CID 18187385
2-(4-phenylphenyl)acetyl chloride
CID 11264727
2-pyridin-3-ylacetyl chloride
CID 14697475
[(E)-2,3-dichloro-4-phenylbut-2-enyl]benzene
CID 10588550
1,3-diphenyl(213C)propan-2-one
CID 100945080
2-(3-phenoxyphenyl)acetyl chloride
CID 12940116
copper 2-phenylacetic acid
CID 54609410
2-phenylacetic acid;silver
CID 50912513
2-phenylacetic acid;dihydrate
CID 168967514
tris(2-phenylacetic acid);rhodium
CID 11168112
2-(4-iodophenyl)acetyl chloride
CID 13340573
2-[4-(2-oxopropyl)phenyl]acetyl chloride
CID 145140807

Frequently Asked Questions

What is the IUPAC name of zinc;2-phenylacetyl chloride;dichloride?
The IUPAC name of zinc;2-phenylacetyl chloride;dichloride (CID 175497500) is zinc;2-phenylacetyl chloride;dichloride.
What is the SMILES notation for zinc;2-phenylacetyl chloride;dichloride?
The canonical SMILES for zinc;2-phenylacetyl chloride;dichloride is O=C(Cl)Cc1ccccc1.[Cl-].[Cl-].[Zn+2].
What is the InChIKey of zinc;2-phenylacetyl chloride;dichloride?
The InChIKey is OYJBCIIBQMESGP-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H7ClO.2ClH.Zn/c9-8(10)6-7-4-2-1-3-5-7;;;/h1-5H,6H2;2*1H;/q;;;+2/p-2.
What are the key properties of zinc;2-phenylacetyl chloride;dichloride?
zinc;2-phenylacetyl chloride;dichloride has a molecular weight of 290.89 g/mol, XLogP of -4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2-phenylacetyl chloride;dichloride is sourced from PubChem (CID 175497500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).