CAS
99585-16-7 Purity
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99585-16-7 Purity
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2-Chloro-N-(3-chlorobenzyl)acetamide
CAS
99585-87-2
Catalog Number
ACM99585872
Category
Other Products
Molecular Weight
218.079860 [g/mol]
Molecular Formula
C9H9Cl2NO
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Specification
Synonyms
MolPort-002-466-654, ZINC00161032, CID602747, 2-Chloro-N-(3-chlorobenzyl)acetamide, Chloracetamide, N-(3-chlorophenyl)methyl-, PB57107155, 99585-87-2
IUPAC Name
2-chloro-N-[(3-chlorophenyl)methyl]acetamide
InChI Key
FWJMEAXKWGEGLQ-UHFFFAOYSA-N
Boiling Point
397.2ºC at 760mmHg
Flash Point
194ºC
Density
1.297g/cm³
Exact Mass
217.00600
H-Bond Acceptor
1
H-Bond Donor
1
What is the molecular formula of 2-Chloro-N-(3-chlorobenzyl)acetamide?
The molecular formula is C9H9Cl2NO.
When was 2-Chloro-N-(3-chlorobenzyl)acetamide created and last modified?
It was created on 2005-03-27 and last modified on 2023-12-30.
What is the IUPAC name of 2-Chloro-N-(3-chlorobenzyl)acetamide?
The IUPAC name is 2-chloro-N-[(3-chlorophenyl)methyl]acetamide.
What is the InChI of 2-Chloro-N-(3-chlorobenzyl)acetamide?
The InChI is InChI=1S/C9H9Cl2NO/c10-5-9(13)12-6-7-2-1-3-8(11)4-7/h1-4H,5-6H2,(H,12,13).
What is the InChIKey of 2-Chloro-N-(3-chlorobenzyl)acetamide?
The InChIKey is FWJMEAXKWGEGLQ-UHFFFAOYSA-N.
What is the canonical SMILES of 2-Chloro-N-(3-chlorobenzyl)acetamide?
The canonical SMILES is C1=CC(=CC(=C1)Cl)CNC(=O)CCl.
What is the molecular weight of 2-Chloro-N-(3-chlorobenzyl)acetamide?
The molecular weight is 218.08 g/mol.
How many hydrogen bond donor counts does 2-Chloro-N-(3-chlorobenzyl)acetamide have?
It has 1 hydrogen bond donor count.
How many rotatable bond counts does 2-Chloro-N-(3-chlorobenzyl)acetamide have?
It has 3 rotatable bond counts.
Is 2-Chloro-N-(3-chlorobenzyl)acetamide classified as a canonicalized compound?
Yes, it is classified as a canonicalized compound.
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