2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoyl chloride

C10H7Cl3N4O2 — CID 57437255

IUPAC2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoyl chloride
SMILESO=C(Cl)c1ccc(Cl)c(OCCn2cnnn2)c1Cl
InChIInChI=1S/C10H7Cl3N4O2/c11-7-2-1-6(10(13)18)8(12)9(7)19-4-3-17-5-14-15-16-17/h1-2,5H,3-4H2
InChIKeyJZIMKEOKWQCYGI-UHFFFAOYSA-N
MW321.55 g/mol
LogP2.44
Rot. Bonds5

About 2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoyl chloride

2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoyl chloride (PubChem CID 57437255) has the molecular formula C10H7Cl3N4O2 and a molecular weight of 321.55 g/mol. Its IUPAC name is 2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoyl chloride.

Molecular Properties

Compound Name2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoyl chloride
PubChem CID57437255
Molecular FormulaC10H7Cl3N4O2
Molecular Weight321.55 g/mol
Exact Mass319.96
IUPAC Name2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoyl chloride
SMILESO=C(Cl)c1ccc(Cl)c(OCCn2cnnn2)c1Cl
InChIInChI=1S/C10H7Cl3N4O2/c11-7-2-1-6(10(13)18)8(12)9(7)19-4-3-17-5-14-15-16-17/h1-2,5H,3-4H2
InChIKeyJZIMKEOKWQCYGI-UHFFFAOYSA-N
XLogP2.44
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-{2,4-dichloro-3-[2-(1H-tetrazol-1-yl)ethoxy]benzoyl}-2-cyclohexen-1-one
CID 11315995
2-{2,4-dichloro-3-[2-(1H-tetrazol-1-yl)ethoxy]benzoyl}cyclohexane-1,3-dione
CID 11440890
3-oxo-1-cyclohexenyl 2,4-dichloro-3-[2-(1H-tetrazol-1-yl)ethoxy]benzoate
CID 57437214
(3-Oxocyclohexen-1-yl) 2,4-dichloro-3-[3-(tetrazol-1-yl)propoxy]benzoate
CID 57437229
(3-Oxocyclohexen-1-yl) 2,4-dichloro-3-[2-(5-methyltetrazol-1-yl)ethoxy]benzoate
CID 57437231
(3-Oxocycloheptyl) 2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoate
CID 57437237
2,4-Dichloro-3-[2-(5-methyltetrazol-1-yl)ethoxy]benzoyl chloride
CID 57437256
2,4-Dichloro-3-[2-(5-methyltetrazol-2-yl)ethoxy]benzoyl chloride
CID 57437257
2,4-Dichloro-3-[2-(1H-tetrazol-1-yl)ethoxy]benzoic acid
CID 57437270
2,4-Dichloro-3-[2-(5-methyltetrazol-1-yl)ethoxy]benzoic acid
CID 57437271
ethyl 2,4-dichloro-3-[2-(1H-tetrazol-1-yl)ethoxy]benzoate
CID 57437285
Ethyl 2,4-dichloro-3-[2-(tetrazol-2-yl)ethoxy]benzoate
CID 57437286

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoyl chloride?
The IUPAC name of 2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoyl chloride (CID 57437255) is 2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoyl chloride.
What is the SMILES notation for 2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoyl chloride?
The canonical SMILES for 2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoyl chloride is O=C(Cl)c1ccc(Cl)c(OCCn2cnnn2)c1Cl.
What is the InChIKey of 2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoyl chloride?
The InChIKey is JZIMKEOKWQCYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3N4O2/c11-7-2-1-6(10(13)18)8(12)9(7)19-4-3-17-5-14-15-16-17/h1-2,5H,3-4H2.
What are the key properties of 2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoyl chloride?
2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoyl chloride has a molecular weight of 321.55 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoyl chloride is sourced from PubChem (CID 57437255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).