CAS
916344-32-6 Purity
96%
916344-32-6 Purity
96%
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methyl 4-tert-butyl-3-iodobenzoate
CAS
91639-30-4
Catalog Number
ACM91639304
Category
Other Products
Molecular Weight
318.150770 [g/mol]
Molecular Formula
C12H15IO2
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Specification
Synonyms
methyl 4-tert-butyl-3-iodobenzoate, 91639-30-4, CTK8E2502, SBB068075, ZINC39951763, AKOS015852341, Methyl 4-(tert-butyl)-3-iodobenzoate, methyl 4-tert-butyl-3-iodanyl-benzoate, AK133706, KB-145638, FT-0652657, 4-tert-butyl-3-iodobenzoic acid methyl ester, A844012, I14-5514
IUPAC Name
methyl 4-tert-butyl-3-iodobenzoate
InChI Key
XSYXVZNTABTYRW-UHFFFAOYSA-N
Boiling Point
339.057ºC at 760 mmHg
Flash Point
158.856ºC
Density
1.472g/cm³
Exact Mass
318.01200
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of methyl 4-tert-butyl-3-iodobenzoate?
The molecular formula of methyl 4-tert-butyl-3-iodobenzoate is C12H15IO2.
When was methyl 4-tert-butyl-3-iodobenzoate created in PubChem?
Methyl 4-tert-butyl-3-iodobenzoate was created in PubChem on March 23, 2010.
What is the IUPAC name of methyl 4-tert-butyl-3-iodobenzoate?
The IUPAC name of methyl 4-tert-butyl-3-iodobenzoate is methyl 4-tert-butyl-3-iodobenzoate.
What is the CAS number of methyl 4-tert-butyl-3-iodobenzoate?
The CAS number of methyl 4-tert-butyl-3-iodobenzoate is 91639-30-4.
What is the molecular weight of methyl 4-tert-butyl-3-iodobenzoate?
The molecular weight of methyl 4-tert-butyl-3-iodobenzoate is 318.15 g/mol.
How many hydrogen bond acceptor counts are there in methyl 4-tert-butyl-3-iodobenzoate?
There are 2 hydrogen bond acceptor counts in methyl 4-tert-butyl-3-iodobenzoate.
What is the topological polar surface area of methyl 4-tert-butyl-3-iodobenzoate?
The topological polar surface area of methyl 4-tert-butyl-3-iodobenzoate is 26.3 Ų.
How many rotatable bond counts are there in methyl 4-tert-butyl-3-iodobenzoate?
There are 3 rotatable bond counts in methyl 4-tert-butyl-3-iodobenzoate.
Is methyl 4-tert-butyl-3-iodobenzoate a canonicalized compound?
Yes, methyl 4-tert-butyl-3-iodobenzoate is a canonicalized compound.
What is the XLogP3-AA value of methyl 4-tert-butyl-3-iodobenzoate?
The XLogP3-AA value of methyl 4-tert-butyl-3-iodobenzoate is 4.1.
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