(2-chlorophenyl)methyl 2-(tetrazol-2-yl)acetate

C10H9ClN4O2 — CID 649441

IUPAC(2-chlorophenyl)methyl 2-(tetrazol-2-yl)acetate
SMILESO=C(Cn1ncnn1)OCc1ccccc1Cl
InChIInChI=1S/C10H9ClN4O2/c11-9-4-2-1-3-8(9)6-17-10(16)5-15-13-7-12-14-15/h1-4,7H,5-6H2
InChIKeyWOCILMDODSOAEE-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.07
Rot. Bonds4

About (2-chlorophenyl)methyl 2-(tetrazol-2-yl)acetate

(2-chlorophenyl)methyl 2-(tetrazol-2-yl)acetate (PubChem CID 649441) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 2-(tetrazol-2-yl)acetate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 2-(tetrazol-2-yl)acetate
PubChem CID649441
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name(2-chlorophenyl)methyl 2-(tetrazol-2-yl)acetate
SMILESO=C(Cn1ncnn1)OCc1ccccc1Cl
InChIInChI=1S/C10H9ClN4O2/c11-9-4-2-1-3-8(9)6-17-10(16)5-15-13-7-12-14-15/h1-4,7H,5-6H2
InChIKeyWOCILMDODSOAEE-UHFFFAOYSA-N
XLogP1.07
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 2-(tetrazol-2-yl)acetate?
The IUPAC name of (2-chlorophenyl)methyl 2-(tetrazol-2-yl)acetate (CID 649441) is (2-chlorophenyl)methyl 2-(tetrazol-2-yl)acetate.
What is the SMILES notation for (2-chlorophenyl)methyl 2-(tetrazol-2-yl)acetate?
The canonical SMILES for (2-chlorophenyl)methyl 2-(tetrazol-2-yl)acetate is O=C(Cn1ncnn1)OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl 2-(tetrazol-2-yl)acetate?
The InChIKey is WOCILMDODSOAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c11-9-4-2-1-3-8(9)6-17-10(16)5-15-13-7-12-14-15/h1-4,7H,5-6H2.
What are the key properties of (2-chlorophenyl)methyl 2-(tetrazol-2-yl)acetate?
(2-chlorophenyl)methyl 2-(tetrazol-2-yl)acetate has a molecular weight of 252.66 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 2-(tetrazol-2-yl)acetate is sourced from PubChem (CID 649441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).