CAS
95833-52-6 Purity
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95833-52-6 Purity
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Methyl 2-(5-chlorobenzo[b]thiophen-3-yl)acetate
CAS
95834-67-6
Catalog Number
ACM95834676
Category
Other Products
Molecular Weight
240.71
Molecular Formula
C11H9ClO2S
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Specification
Synonyms
METHYL 2-(5-CHLOROBENZO[B]THIOPHEN-3-YL)ACETATE;METHYL 2-(5-CHLOROBENZOTHIOPHENE-3-YL)ACETATE;BUTTPARK 97\04-74;METHYL 5-CHLOROBENZO(B)THIEN-3-YLACETATE;Methyl 5-chlorobenzothiophene-3-acetate
IUPAC Name
methyl 2-(5-chloro-1-benzothiophen-3-yl)acetate
Canonical SMILES
COC(=O)CC1=CSC2=C1C=C(C=C2)Cl
InChI Key
JWFDIBIIXZVEBI-UHFFFAOYSA-N
Boiling Point
350.5ºC at 760mmHg
Melting Point
55ºC
Flash Point
165.8ºC
Density
1.353g/cm³
Exact Mass
240.00100
H-Bond Acceptor
3
H-Bond Donor
0
Safety Description
26-36/37/39
What is the molecular formula of methyl 2-(5-chlorobenzo[b]thiophen-3-yl)acetate?
The molecular formula is C11H9ClO2S.
What is the molecular weight of methyl 2-(5-chlorobenzo[b]thiophen-3-yl)acetate?
The molecular weight is 240.71 g/mol.
What is the IUPAC name of methyl 2-(5-chlorobenzo[b]thiophen-3-yl)acetate?
The IUPAC name is methyl 2-(5-chloro-1-benzothiophen-3-yl)acetate.
What is the InChI of methyl 2-(5-chlorobenzo[b]thiophen-3-yl)acetate?
The InChI is InChI=1S/C11H9ClO2S/c1-14-11(13)4-7-6-15-10-3-2-8(12)5-9(7)10/h2-3,5-6H,4H2,1H3.
What is the InChIKey of methyl 2-(5-chlorobenzo[b]thiophen-3-yl)acetate?
The InChIKey is JWFDIBIIXZVEBI-UHFFFAOYSA-N.
What is the canonical SMILES of methyl 2-(5-chlorobenzo[b]thiophen-3-yl)acetate?
The canonical SMILES is COC(=O)CC1=CSC2=C1C=C(C=C2)Cl.
What is the CAS number of methyl 2-(5-chlorobenzo[b]thiophen-3-yl)acetate?
The CAS number is 95834-67-6.
What is the XLogP3-AA value of methyl 2-(5-chlorobenzo[b]thiophen-3-yl)acetate?
The XLogP3-AA value is 3.4.
How many hydrogen bond acceptor counts does methyl 2-(5-chlorobenzo[b]thiophen-3-yl)acetate have?
It has 3 hydrogen bond acceptor counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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CAS
95837-21-1 Purity
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95837-21-1 Purity
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