CAS
899-87-6 Purity
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899-87-6 Purity
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Methyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate
CAS
899897-21-3
Catalog Number
ACM899897213
Category
Other Products
Molecular Weight
236.09
Molecular Formula
N1=C(C)SC(=C1C(=O)OC)Br
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Specification
Synonyms
5-Bromo-4-(methoxycarbonyl)-2-methyl-1,3-thiazole
IUPAC Name
methyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate
Canonical SMILES
CC1=NC(=C(S1)Br)C(=O)OC
InChI Key
FINAXYSMTLVVOE-UHFFFAOYSA-N
Exact Mass
234.93000
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of Methyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate?
The molecular formula is C6H6BrNO2S.
What is the molecular weight of Methyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate?
The molecular weight is 236.09 g/mol.
When was Methyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate first created in PubChem?
It was first created on July 30, 2007.
What is the IUPAC name of Methyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name is methyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate.
What is the InChIKey of Methyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is FINAXYSMTLVVOE-UHFFFAOYSA-N.
How many hydrogen bond acceptors does Methyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate have?
It has 4 hydrogen bond acceptors.
What is the topological polar surface area of Methyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate?
The topological polar surface area is 67.4 Ų.
Is Methyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate a canonicalized compound?
Yes, it is canonicalized.
What is the xLogP3-AA value of Methyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate?
The xLogP3-AA value is 2.6.
How many rotatable bonds does Methyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate have?
It has 2 rotatable bonds.
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