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3-(3-bromo-1H-1,2,4-triazol-1-yl)-Adamantane-1-carboxylic acid

3-(3-bromo-1H-1,2,4-triazol-1-yl)-Adamantane-1-carboxylic acid - CAS 676348-39-3

Catalog:	BB044638
Product Name:	3-(3-bromo-1H-1,2,4-triazol-1-yl)-Adamantane-1-carboxylic acid
CAS:	676348-39-3
Synonyms:	Adamantane-1-carboxylic acid, 3-(3-bromo-1H-1,2,4-triazol-1-yl)-; 3-(3-bromo-1,2,4-triazolyl)adamantanecarboxylic acid; 3-(3-Bromo-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxylic acid

Technical Data

Computed Properties

IUPAC Name:	3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid
Description:	3-(3-bromo-1H-1,2,4-triazol-1-yl)-Adamantane-1-carboxylic acid (CAS# 676348-39-3 ) is a useful research chemical.
Molecular Weight:	326.19
Molecular Formula:	C13H16BrN3O2
Canonical SMILES:	C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)Br)C(=O)O
InChI:	InChI=1S/C13H16BrN3O2/c14-11-15-7-17(16-11)13-4-8-1-9(5-13)3-12(2-8,6-13)10(18)19/h7-9H,1-6H2,(H,18,19)
InChI Key:	ODVKAFUIFXUNTK-UHFFFAOYSA-N
Boiling Point:	504.4±52.0 °C (Predicted)
Purity:	≥ 95 %
Density:	1.96±0.1 g/cm³ (Predicted)

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