CAS
935-04-6 Purity
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935-04-6 Purity
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2'-Chloro-4',6'-dimethylacetanilide
CAS
93506-80-0
Catalog Number
ACM93506800
Category
Other Products
Molecular Weight
197.66
Molecular Formula
C10H12ClNO
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Specification
Synonyms
2-CHLORO-4,6-DIMETHYL ACETANILIDE;N-(2-Chloro-4,6-dimethylphenyl)acetamide
Density
1.183
What is the IUPAC name of the compound?
The IUPAC name of the compound is 1-(2-chloroethyl)-1-(4-cyanophenyl)urea.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C10H10ClN3O/c11-5-6-14(10(13)15)9-3-1-8(7-12)2-4-9/h1-4H,5-6H2,(H2,13,15).
What is the InChIKey of the compound?
The InChIKey of the compound is SLZODBAIHUIOPO-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC(=CC=C1C#N)N(CCCl)C(=O)N.
What is the molecular weight of the compound?
The molecular weight of the compound is 223.66 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 2 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 70.1 ?2.
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