CAS
99585-18-9 Purity
96%
99585-18-9 Purity
96%
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2-Chloro-n-(4-chlorobenzyl)acetamide
CAS
99585-88-3
Catalog Number
ACM99585883
Category
Other Products
Molecular Weight
218.079860 [g/mol]
Molecular Formula
C9H9Cl2NO
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Specification
Synonyms
NCIOpen2_006840, MolPort-001-502-254, NSC102125, 2-chloro-N-(4-chlorobenzyl)acetamide, ALBB-002317, CID265741, STK415086, ZINC00153383, 9G-915, 99585-88-3
IUPAC Name
2-chloro-N-[(4-chlorophenyl)methyl]acetamide
InChI Key
OGCPMNAEQFAPHN-UHFFFAOYSA-N
Boiling Point
397.2ºC at 760mmHg
Melting Point
115-117ºC
Flash Point
194ºC
Density
1.297g/cm³
Exact Mass
217.00600
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
1
H-Bond Donor
1
What is the molecular formula of 2-Chloro-n-(4-chlorobenzyl)acetamide?
The molecular formula is C9H9Cl2NO.
When was the PubChem CID for 2-Chloro-n-(4-chlorobenzyl)acetamide created?
It was created on 2005-03-26.
What is the IUPAC name of 2-Chloro-n-(4-chlorobenzyl)acetamide?
The IUPAC name is 2-chloro-N-[(4-chlorophenyl)methyl]acetamide.
What is the InChI of 2-Chloro-n-(4-chlorobenzyl)acetamide?
The InChI is InChI=1S/C9H9Cl2NO/c10-5-9(13)12-6-7-1-3-8(11)4-2-7/h1-4H,5-6H2,(H,12,13).
What is the InChIKey of 2-Chloro-n-(4-chlorobenzyl)acetamide?
The InChIKey is OGCPMNAEQFAPHN-UHFFFAOYSA-N.
What is the Canonical SMILES for 2-Chloro-n-(4-chlorobenzyl)acetamide?
The Canonical SMILES is C1=CC(=CC=C1CNC(=O)CCl)Cl.
How many Hydrogen Bond Donor Count does 2-Chloro-n-(4-chlorobenzyl)acetamide have?
It has 1 Hydrogen Bond Donor Count.
What is the topological Polar Surface Area of 2-Chloro-n-(4-chlorobenzyl)acetamide?
The topological Polar Surface Area is 29.1 Ų.
Is the compound is canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
What is the molecular weight of 2-Chloro-n-(4-chlorobenzyl)acetamide?
The molecular weight is 218.08 g/mol.
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