CAS
962-28-7 Purity
96%
962-28-7 Purity
96%
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Methyl 4,5-dichloro-3-hydroxythiophene-2-carboxylate
CAS
96232-70-1
Catalog Number
ACM96232701
Category
Other Products
Molecular Weight
227.065160 [g/mol]
Molecular Formula
C6H4Cl2O3S
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Specification
Synonyms
methyl 4,5-dichloro-3-hydroxythiophene-2-carboxylate, 96232-70-1, SureCN9525950, CTK8B8869, ANW-61529, AKOS016002920, MB14668, AK-38700, KB-256852, methyl 4,5-dichloro-3-hydroxy-2-thiophenecarboxylate
IUPAC Name
methyl 4,5-dichloro-3-hydroxythiophene-2-carboxylate
Canonical SMILES
COC(=O)C1=C(C(=C(S1)Cl)Cl)O
InChI Key
OKYOKWYLOLTNFT-UHFFFAOYSA-N
Boiling Point
282.8ºC at 760 mmHg
Flash Point
124.8ºC
Density
1.631g/cm³
Exact Mass
225.92600
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 54706807?
The molecular formula is C6H4Cl2O3S.
What are the synonyms of the compound?
The synonyms are methyl 4,5-dichloro-3-hydroxythiophene-2-carboxylate, 96232-70-1, SCHEMBL9525950, and DTXSID80716091.
When was the compound created and last modified?
It was created on 2011-12-26 and last modified on 2023-12-30.
What is the IUPAC Name of the compound?
The IUPAC Name is methyl 4,5-dichloro-3-hydroxythiophene-2-carboxylate.
What is the InChIKey of the compound?
The InChIKey is OKYOKWYLOLTNFT-UHFFFAOYSA-N.
What is the molecular weight of the compound?
The molecular weight is 227.06 g/mol.
How many Hydrogen Bond Acceptor Count does the compound have?
It has 4 Hydrogen Bond Acceptor Count.
What is the exact mass of the compound?
The exact mass is 225.9258205 g/mol.
Does the compound have any Defined Atom Stereocenter Count?
No, it has 0 Defined Atom Stereocenter Count.
Is the compound Canonicalized?
Yes, the compound is Canonicalized.
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