CAS
1372197-49-3 Purity
97%
1372197-49-3 Purity
97%
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methyl 6-bromo-5-methylpyrazine-2-carboxylate
CAS
1166827-91-3
Catalog Number
ACM1166827913
Category
Pyrazines
Molecular Weight
230.0
Molecular Formula
C7H7BrN2O2
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What is the molecular formula of methyl 6-bromo-5-methylpyrazine-2-carboxylate?
The molecular formula is C7H7BrN2O2.
What is the molecular weight of methyl 6-bromo-5-methylpyrazine-2-carboxylate?
The molecular weight is 231.05 g/mol.
What is the IUPAC name of methyl 6-bromo-5-methylpyrazine-2-carboxylate?
The IUPAC name is methyl 6-bromo-5-methylpyrazine-2-carboxylate.
What is the InChI of methyl 6-bromo-5-methylpyrazine-2-carboxylate?
The InChI is InChI=1S/C7H7BrN2O2/c1-4-6(8)10-5(3-9-4)7(11)12-2/h3H,1-2H3.
What is the InChIKey of methyl 6-bromo-5-methylpyrazine-2-carboxylate?
The InChIKey is TZPBBQPUHKINGG-UHFFFAOYSA-N.
What is the canonical SMILES of methyl 6-bromo-5-methylpyrazine-2-carboxylate?
The canonical SMILES is CC1=NC=C(N=C1Br)C(=O)OC.
What is the XLogP3-AA value of methyl 6-bromo-5-methylpyrazine-2-carboxylate?
The XLogP3-AA value is 1.4.
How many hydrogen bond donor count does methyl 6-bromo-5-methylpyrazine-2-carboxylate have?
It has a hydrogen bond donor count of 0.
How many hydrogen bond acceptor count does methyl 6-bromo-5-methylpyrazine-2-carboxylate have?
It has a hydrogen bond acceptor count of 4.
What is the topological polar surface area of methyl 6-bromo-5-methylpyrazine-2-carboxylate?
The topological polar surface area is 52.1 ?2.
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