CAS
934-23-6 Purity
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934-23-6 Purity
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Methyl 2-chlorooxazole-4-carboxylate
CAS
934236-35-8
Catalog Number
ACM934236358
Category
Other Products
Molecular Weight
161.55
Molecular Formula
C5H4ClNO3
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Specification
Synonyms
Methyl 2-chlorooxazole-4-carboxylate, methyl 2-chloro-1,3-oxazole-4-carboxylate, 934236-35-8, Methyl2-chloro-1,3-oxazole-5-carboxylate, ACMC-209rln, AGN-PC-00Z4XL, SureCN1027752, CTK6J1107, MolPort-000-139-646, ANW-40041, ZINC15021587, AKOS005255692, AG-B-26946, OR15582, RP08401, AK-36915, KB-53886, KB-100273, M2706M500, FT-0685392
IUPAC Name
methyl 2-chloro-1,3-oxazole-4-carboxylate
Canonical SMILES
COC(=O)C1=COC(=N1)Cl
InChI Key
GMAOHBOUJBPEKY-UHFFFAOYSA-N
Exact Mass
160.98800
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of Methyl 2-chlorooxazole-4-carboxylate?
The molecular formula is C5H4ClNO3.
What is the molecular weight of Methyl 2-chlorooxazole-4-carboxylate?
The molecular weight is 161.54 g/mol.
What are some synonyms for Methyl 2-chlorooxazole-4-carboxylate?
Some synonyms include methyl 2-chloro-1,3-oxazole-4-carboxylate, MFCD09265505, and methyl-2-chlorooxazole-4-carboxylate.
What is the IUPAC name of Methyl 2-chlorooxazole-4-carboxylate?
The IUPAC name is methyl 2-chloro-1,3-oxazole-4-carboxylate.
What is the InChIKey of Methyl 2-chlorooxazole-4-carboxylate?
The InChIKey is GMAOHBOUJBPEKY-UHFFFAOYSA-N.
How many hydrogen bond acceptors does Methyl 2-chlorooxazole-4-carboxylate have?
Methyl 2-chlorooxazole-4-carboxylate has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of Methyl 2-chlorooxazole-4-carboxylate?
The topological polar surface area is 52.3 Ų.
Is Methyl 2-chlorooxazole-4-carboxylate a canonicalized compound?
Yes, the compound is canonicalized.
What is the XLogP3-AA value of Methyl 2-chlorooxazole-4-carboxylate?
The XLogP3-AA value is 1.5.
When was Methyl 2-chlorooxazole-4-carboxylate first created in PubChem?
It was first created on July 30, 2007.
Upstream Synthesis Route 1
- 1000576-38-4
- 934236-35-8
Reference: [1] ChemMedChem, 2010, vol. 5, # 2, p. 206 - 212
Upstream Synthesis Route 2
- 1000576-38-4
- 934236-35-8
Reference: [1]ChemMedChem,2010,vol. 5,p. 206 - 212
Downstream Synthesis Route 1
- 934236-35-8
- 706789-06-2
Reference: [1]ChemMedChem,2010,vol. 5,p. 206 - 212
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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