CAS
1374598-80-7 Purity
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1374598-80-7 Purity
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Ethyl 2,6-dichloro-3-methylisonicotinate
CAS
137520-99-1
Catalog Number
ACM137520991
Category
Other Products
Molecular Weight
234.07926
Molecular Formula
C9H9Cl2NO2
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Specification
Synonyms
ethyl 2,6-dichloro-3-methylisonicotinate;2,6-Dichloro-3-methyl-isonicotinic acid ethyl ester
What is the molecular formula of ethyl 2,6-dichloro-3-methylisonicotinate?
The molecular formula is C9H9Cl2NO2.
What is the molecular weight of ethyl 2,6-dichloro-3-methylisonicotinate?
The molecular weight is 234.08 g/mol.
What is the IUPAC name of ethyl 2,6-dichloro-3-methylisonicotinate?
The IUPAC name is ethyl 2,6-dichloro-3-methylpyridine-4-carboxylate.
What is the InChI of ethyl 2,6-dichloro-3-methylisonicotinate?
The InChI is InChI=1S/C9H9Cl2NO2/c1-3-14-9(13)6-4-7(10)12-8(11)5(6)2/h4H,3H2,1-2H3.
What is the InChIKey of ethyl 2,6-dichloro-3-methylisonicotinate?
The InChIKey is MQWSYHGBLOKYSU-UHFFFAOYSA-N.
What is the canonical SMILES of ethyl 2,6-dichloro-3-methylisonicotinate?
The canonical SMILES is CCOC(=O)C1=CC(=NC(=C1C)Cl)Cl.
What is the XLogP3-AA value of ethyl 2,6-dichloro-3-methylisonicotinate?
The XLogP3-AA value is 3.4.
How many hydrogen bond donor count does ethyl 2,6-dichloro-3-methylisonicotinate have?
It has 0 hydrogen bond donor count.
How many hydrogen bond acceptor count does ethyl 2,6-dichloro-3-methylisonicotinate have?
It has 3 hydrogen bond acceptor count.
How many rotatable bond count does ethyl 2,6-dichloro-3-methylisonicotinate have?
It has 3 rotatable bond count.
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