1-(2-chlorophenyl)-2-(tetrazol-1-yl)ethanone

C9H7ClN4O — CID 52914739

IUPAC1-(2-chlorophenyl)-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)c1ccccc1Cl
InChIInChI=1S/C9H7ClN4O/c10-8-4-2-1-3-7(8)9(15)5-14-6-11-12-13-14/h1-4,6H,5H2
InChIKeyQNEUPDOKMWBPGA-UHFFFAOYSA-N
MW222.64 g/mol
LogP1.21
Rot. Bonds3

About 1-(2-chlorophenyl)-2-(tetrazol-1-yl)ethanone

1-(2-chlorophenyl)-2-(tetrazol-1-yl)ethanone (PubChem CID 52914739) has the molecular formula C9H7ClN4O and a molecular weight of 222.64 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(tetrazol-1-yl)ethanone
PubChem CID52914739
Molecular FormulaC9H7ClN4O
Molecular Weight222.64 g/mol
Exact Mass222.03
IUPAC Name1-(2-chlorophenyl)-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)c1ccccc1Cl
InChIInChI=1S/C9H7ClN4O/c10-8-4-2-1-3-7(8)9(15)5-14-6-11-12-13-14/h1-4,6H,5H2
InChIKeyQNEUPDOKMWBPGA-UHFFFAOYSA-N
XLogP1.21
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.64
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-(tetrazol-1-yl)ethanone (CID 52914739) is 1-(2-chlorophenyl)-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-(tetrazol-1-yl)ethanone is O=C(Cn1cnnn1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(tetrazol-1-yl)ethanone?
The InChIKey is QNEUPDOKMWBPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O/c10-8-4-2-1-3-7(8)9(15)5-14-6-11-12-13-14/h1-4,6H,5H2.
What are the key properties of 1-(2-chlorophenyl)-2-(tetrazol-1-yl)ethanone?
1-(2-chlorophenyl)-2-(tetrazol-1-yl)ethanone has a molecular weight of 222.64 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 52914739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).