CAS
920-36-5 Purity
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920-36-5 Purity
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Ethyl 4-tert-butyl-3-iodobenzoate
CAS
92039-18-4
Catalog Number
ACM92039184
Category
Other Products
Molecular Weight
332.177350 [g/mol]
Molecular Formula
C13H17IO2
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Specification
Synonyms
ethyl 4-tert-butyl-3-iodobenzoate, 92039-18-4, CTK8E2503, SBB068172, ZINC39951788, Ethyl 4-(tert-butyl)-3-iodobenzoate, AKOS015843497, ethyl 4-tert-butyl-3-iodanyl-benzoate, AK133731, KB-145513, 4-tert-butyl-3-iodobenzoic acid ethyl ester, FT-0660041, A844136, I14-5623
IUPAC Name
ethyl 4-tert-butyl-3-iodobenzoate
Canonical SMILES
CCOC(=O)C1=CC(=C(C=C1)C(C)(C)C)I
InChI Key
HWNNZFQAGYZOQX-UHFFFAOYSA-N
Exact Mass
332.02700
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Ethyl 4-tert-butyl-3-iodobenzoate?
The molecular formula of Ethyl 4-tert-butyl-3-iodobenzoate is C13H17IO2.
When was Ethyl 4-tert-butyl-3-iodobenzoate created and last modified?
Ethyl 4-tert-butyl-3-iodobenzoate was created on 2010-03-23 and last modified on 2023-12-30.
What is the IUPAC Name of Ethyl 4-tert-butyl-3-iodobenzoate?
The IUPAC Name of Ethyl 4-tert-butyl-3-iodobenzoate is ethyl 4-tert-butyl-3-iodobenzoate.
What is the InChIKey of Ethyl 4-tert-butyl-3-iodobenzoate?
The InChIKey of Ethyl 4-tert-butyl-3-iodobenzoate is HWNNZFQAGYZOQX-UHFFFAOYSA-N.
How many hydrogen bond acceptors are there in Ethyl 4-tert-butyl-3-iodobenzoate?
There are 2 hydrogen bond acceptors in Ethyl 4-tert-butyl-3-iodobenzoate.
What is the topological polar surface area of Ethyl 4-tert-butyl-3-iodobenzoate?
The topological polar surface area of Ethyl 4-tert-butyl-3-iodobenzoate is 26.3Ų.
How many rotatable bonds are there in Ethyl 4-tert-butyl-3-iodobenzoate?
There are 4 rotatable bonds in Ethyl 4-tert-butyl-3-iodobenzoate.
Is Ethyl 4-tert-butyl-3-iodobenzoate a canonicalized compound?
Yes, Ethyl 4-tert-butyl-3-iodobenzoate is a canonicalized compound.
What is the heavy atom count in Ethyl 4-tert-butyl-3-iodobenzoate?
The heavy atom count in Ethyl 4-tert-butyl-3-iodobenzoate is 16.
What is the molecular weight of Ethyl 4-tert-butyl-3-iodobenzoate?
The molecular weight of Ethyl 4-tert-butyl-3-iodobenzoate is 332.18 g/mol.
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