CAS
948594-98-7 Purity
96%
948594-98-7 Purity
96%
![[1-[(3,4-Dimethyl-1,2-oxazol-5-yl)amino]-3-methyl-1-oxobutan-2-yl]-diethylazanium;2,4,6-trinitrophenolate](https://resource.alfa-chemistry.com/structure/94868-65-2.gif)
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diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate
CAS
94861-76-4
Catalog Number
ACM94861764
Category
Other Products
Molecular Weight
624.204720 [g/mol]
Molecular Formula
C21H22I2O6
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Specification
Synonyms
94861-76-4, diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate, AKOS015919376, AK133179, KB-251416, FT-0654714, ST51055998, A845118, S06-0018, diethyl 2-[[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]methyl]propanedioate, 2-[[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]methyl]propanedioic acid diethyl ester, diethyl 2-[[3,5-bis(iodanyl)-4-(4-methoxyphenoxy)phenyl]methyl]propanedioate
IUPAC Name
diethyl 2-[[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]methyl]propanedioate
Canonical SMILES
CCOC(=O)C(CC1=CC(=C(C(=C1)I)OC2=CC=C(C=C2)OC)I)C(=O)OCC
InChI Key
OJVCQVQZENDYOD-UHFFFAOYSA-N
Exact Mass
623.95100
H-Bond Acceptor
6
H-Bond Donor
0
What is the molecular formula of diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate?
The molecular formula is C21H22I2O6.
What is the molecular weight of diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate?
The molecular weight is 624.2 g/mol.
What are some synonyms for diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate?
Some synonyms include 94861-76-4 and diethyl 2-[[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]methyl]propanedioate.
When was diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate created?
It was created on October 14, 2009.
What is the InChIKey of diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate?
The InChIKey is OJVCQVQZENDYOD-UHFFFAOYSA-N.
How many hydrogen bond acceptors does diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate have?
It has 6 hydrogen bond acceptors.
What is the exact mass of diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate?
The exact mass is 623.95058 g/mol.
How many rotatable bonds does diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate have?
It has 11 rotatable bonds.
Is diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate a canonicalized compound?
Yes, it is considered canonicalized.
What is the topological polar surface area of diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate?
The topological polar surface area is 71.1 Å2.
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