(2-chloroacetyl) 2-oxopropanoate;oxovanadium

C5H4ClO5V- — CID 174382634

IUPAC(2-chloroacetyl) 2-oxopropanoate;oxovanadium
SMILESO=[V].[CH2-]C(=O)C(=O)OC(=O)CCl
InChIInChI=1S/C5H4ClO4.O.V/c1-3(7)5(9)10-4(8)2-6;;/h1-2H2;;/q-1;;
InChIKeyBWWNQQBRVJBYCF-UHFFFAOYSA-N
MW230.48 g/mol
LogP-0.42
Rot. Bonds2

About (2-chloroacetyl) 2-oxopropanoate;oxovanadium

(2-chloroacetyl) 2-oxopropanoate;oxovanadium (PubChem CID 174382634) has the molecular formula C5H4ClO5V- and a molecular weight of 230.48 g/mol. Its IUPAC name is (2-chloroacetyl) 2-oxopropanoate;oxovanadium.

Molecular Properties

Compound Name(2-chloroacetyl) 2-oxopropanoate;oxovanadium
PubChem CID174382634
Molecular FormulaC5H4ClO5V-
Molecular Weight230.48 g/mol
Exact Mass229.92
IUPAC Name(2-chloroacetyl) 2-oxopropanoate;oxovanadium
SMILESO=[V].[CH2-]C(=O)C(=O)OC(=O)CCl
InChIInChI=1S/C5H4ClO4.O.V/c1-3(7)5(9)10-4(8)2-6;;/h1-2H2;;/q-1;;
InChIKeyBWWNQQBRVJBYCF-UHFFFAOYSA-N
XLogP-0.42
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.48
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2-chloroacetyl) 2-chloroacetate
CID 10946
1-chloroethenyl 2-chloroacetate
CID 174342485
acetyl acetate;(2-chloroacetyl) 2-chloroacetate
CID 88728166
chloro 2-chloroethaneperoxoate
CID 87091274
ethylcarbamoyl 2-chloroacetate
CID 91082001
bis(2-chloroacetyl) (2S)-2-aminobutanedioate
CID 57149037
trimethylplumbyl 2-chloroacetate
CID 16683416
nitro 2-chloroethaneperoxoate
CID 55298204
ethyl 2-chloroacetate
CID 7751
1-phenylethenyl 2-chloroacetate
CID 13032777
bis(2-aminoacetyl) oxalate
CID 88769554
[(Z)-2-chloroethenyl] 2-chloroacetate
CID 13201921

Frequently Asked Questions

What is the IUPAC name of (2-chloroacetyl) 2-oxopropanoate;oxovanadium?
The IUPAC name of (2-chloroacetyl) 2-oxopropanoate;oxovanadium (CID 174382634) is (2-chloroacetyl) 2-oxopropanoate;oxovanadium.
What is the SMILES notation for (2-chloroacetyl) 2-oxopropanoate;oxovanadium?
The canonical SMILES for (2-chloroacetyl) 2-oxopropanoate;oxovanadium is O=[V].[CH2-]C(=O)C(=O)OC(=O)CCl.
What is the InChIKey of (2-chloroacetyl) 2-oxopropanoate;oxovanadium?
The InChIKey is BWWNQQBRVJBYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClO4.O.V/c1-3(7)5(9)10-4(8)2-6;;/h1-2H2;;/q-1;;.
What are the key properties of (2-chloroacetyl) 2-oxopropanoate;oxovanadium?
(2-chloroacetyl) 2-oxopropanoate;oxovanadium has a molecular weight of 230.48 g/mol, XLogP of -0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroacetyl) 2-oxopropanoate;oxovanadium is sourced from PubChem (CID 174382634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).