CAS
99497-39-9 Purity
96%
99497-39-9 Purity
96%
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3-Chloro-4-methylbenzoic acid ethyl ester
CAS
99500-36-4
Catalog Number
ACM99500364
Category
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What is the molecular formula of ethyl 3-chloro-4-methylbenzoate?
The molecular formula is C10H11ClO2.
When was the compound first created and last modified?
It was first created on December 5, 2007, and last modified on December 30, 2023.
What is the IUPAC Name of the compound?
The IUPAC Name is ethyl 3-chloro-4-methylbenzoate.
What is the InChIKey of the compound?
The InChIKey is MZZBQMBOGLOAJU-UHFFFAOYSA-N.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES representation is CCOC(=O)C1=CC(=C(C=C1)C)Cl.
What is the molecular weight of the compound?
The molecular weight is 198.64 g/mol.
How many Hydrogen Bond Donor Counts does the compound have?
It has 0 Hydrogen Bond Donor Counts.
How many Rotatable Bond Counts does the compound have?
It has 3 Rotatable Bond Counts.
What is the exact mass of the compound?
The exact mass is 198.0447573 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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CAS
99499-25-9 Purity
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99499-25-9 Purity
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