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4-[2-(3-iodoprop-2-ynyl)tetrazol-5-yl]benzonitrile

4-[2-(3-iodoprop-2-ynyl)tetrazol-5-yl]benzonitrile structure

CAS No:
92712-25-9
Formula:
C11H6IN5
Chemical Name:
4-[2-(3-iodoprop-2-ynyl)tetrazol-5-yl]benzonitrile
Synonyms:
4-[2-(3-iodoprop-2-ynyl)tetrazol-5-yl]benzonitrile;2-(1'-iodopropyn-3'-yl)-5-(p-cyanophenyl)tetrazole;92712-25-9;CHEMBL151406;SCHEMBL10731352;Benzonitrile, 4-[2-(3-iodo-2-propynyl)-2H-tetrazol-5-yl]-

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4-[2-(3-iodoprop-2-ynyl)tetrazol-5-yl]benzonitrile Basic Attributes

Molecular Weight：

335.10 g/mol

Exact Mass：

334.96679 g/mol

Characteristics

PSA：

67.4 Å²

XLogP3：

1.60768

Melting Point：

180 - 185 °C (acetone)

Computed Properties

Molecular Weight:335.10
XLogP3:2.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:334.96679
Monoisotopic Mass:334.96679
Topological Polar Surface Area:67.4
Heavy Atom Count:17
Complexity:367
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[2-(3-iodoprop-2-ynyl)tetrazol-5-yl]benzonitrile

Basic Attributes
Characteristics
Computed Properties

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