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Structure

2-Bromo-1-ethoxymethylimidazole

CAS
850429-54-8
Catalog Number
ACM850429548
Category
Bromine Series
Molecular Weight
205.05
Molecular Formula
C6H9BrN2O

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Specification

Synonyms
2-Bromo-1-ethoxymethylimidazole, ZINC02525531, CID2773257, B2117M500, 850429-54-8
IUPAC Name
2-bromo-1-(ethoxymethyl)imidazole
Canonical SMILES
CCOCN1C=CN=C1Br
InChI Key
FZLPPSCLJGMJCZ-UHFFFAOYSA-N
Boiling Point
271.4ºC at 760 mmHg
Flash Point
117.9ºC
Density
1.52g/cm³
Exact Mass
203.99000
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
3
H-Bond Donor
0
Safety Description
26-36/37/39
What is the molecular formula of 2-Bromo-1-ethoxymethylimidazole?

The molecular formula is C6H9BrN2O.

What is the molecular weight of 2-Bromo-1-ethoxymethylimidazole?

The molecular weight is 205.05 g/mol.

What is the IUPAC name of 2-Bromo-1-ethoxymethylimidazole?

The IUPAC name is 2-bromo-1-(ethoxymethyl)imidazole.

What is the InChI of 2-Bromo-1-ethoxymethylimidazole?

The InChI is InChI=1S/C6H9BrN2O/c1-2-10-5-9-4-3-8-6(9)7/h3-4H,2,5H2,1H3.

What is the InChIKey of 2-Bromo-1-ethoxymethylimidazole?

The InChIKey is FZLPPSCLJGMJCZ-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Bromo-1-ethoxymethylimidazole?

The canonical SMILES is CCOCN1C=CN=C1Br.

What is the CAS number of 2-Bromo-1-ethoxymethylimidazole?

The CAS number is 850429-54-8.

What is the XLogP3-AA value of 2-Bromo-1-ethoxymethylimidazole?

The XLogP3-AA value is 1.3.

How many hydrogen bond donor counts does 2-Bromo-1-ethoxymethylimidazole have?

It has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 2-Bromo-1-ethoxymethylimidazole have?

It has 2 hydrogen bond acceptor counts.

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