CAS
99585-90-7 Purity
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99585-90-7 Purity
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3-Chloro-N-(3-chlorophenyl)propanamide
CAS
99585-98-5
Catalog Number
ACM99585985
Category
Other Products
Molecular Weight
218.08
Molecular Formula
C9H9Cl2NO
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What is the molecular formula of the compound?
The molecular formula of the compound is C9H9Cl2NO.
What is the molecular weight of the compound?
The molecular weight of the compound is 218.08 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3-chloro-N-(3-chlorophenyl)propanamide.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C9H9Cl2NO/c10-5-4-9(13)12-8-3-1-2-7(11)6-8/h1-3,6H,4-5H2,(H,12,13).
What is the InChIKey of the compound?
The InChIKey of the compound is PPDCJGYLZPSGAW-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC(=CC(=C1)Cl)NC(=O)CCCl.
What is the CAS number of the compound?
The CAS number of the compound is 99585-98-5.
What is the XLogP3 value of the compound?
The XLogP3 value of the compound is 2.7.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
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