CAS
944450-49-1 Purity
96%
944450-49-1 Purity
96%
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2-Bromo-1-(1-methyl-1H-benzimidazol-5-yl)ethanone hydrobromide
CAS
944450-78-6
Catalog Number
ACM944450786
Category
Other Products
Molecular Weight
334.01
Molecular Formula
C10H9BrN2O.HBR
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Specification
Synonyms
2-Bromo-1-(1-methyl-1H-benzimidazol-5-yl)ethan-1-one hydrobromide
IUPAC Name
2-bromo-1-(1-methylbenzimidazol-5-yl)ethanone;hydrobromide
SMILES
CN1C=NC2=C1C=CC(=C2)C(=O)CBr.Br
InChI Key
LRWGKOQDEBXXPS-UHFFFAOYSA-N
Boiling Point
408.9ºC at 760 mmHg
Melting Point
196-196.5ºC
Flash Point
201.1ºC
Exact Mass
331.91600
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-Bromo-1-(1-methyl-1H-benzimidazol-5-yl)ethanone hydrobromide?
The molecular formula is C10H10Br2N2O.
What is the molecular weight of 2-Bromo-1-(1-methyl-1H-benzimidazol-5-yl)ethanone hydrobromide?
The molecular weight is 334.01 g/mol.
When was 2-Bromo-1-(1-methyl-1H-benzimidazol-5-yl)ethanone hydrobromide created and modified in PubChem?
It was created on 2008-02-29 and modified on 2023-12-30.
What is the IUPAC name of 2-Bromo-1-(1-methyl-1H-benzimidazol-5-yl)ethanone hydrobromide?
The IUPAC name is 2-bromo-1-(1-methylbenzimidazol-5-yl)ethanone;hydrobromide.
What is the InChI of 2-Bromo-1-(1-methyl-1H-benzimidazol-5-yl)ethanone hydrobromide?
The InChI is InChI=1S/C10H9BrN2O.BrH/c1-13-6-12-8-4-7(10(14)5-11)2-3-9(8)13;/h2-4,6H,5H2,1H3;1H.
What is the Canonical SMILES of 2-Bromo-1-(1-methyl-1H-benzimidazol-5-yl)ethanone hydrobromide?
The Canonical SMILES is CN1C=NC2=C1C=CC(=C2)C(=O)CBr.Br.
What is the CAS number of 2-Bromo-1-(1-methyl-1H-benzimidazol-5-yl)ethanone hydrobromide?
The CAS number is 944450-78-6.
How many hydrogen bond donor counts does 2-Bromo-1-(1-methyl-1H-benzimidazol-5-yl)ethanone hydrobromide have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of 2-Bromo-1-(1-methyl-1H-benzimidazol-5-yl)ethanone hydrobromide?
The topological polar surface area is 34.9 Å2.
Is 2-Bromo-1-(1-methyl-1H-benzimidazol-5-yl)ethanone hydrobromide's compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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