CAS
94159-36-1 Purity
96%
94159-36-1 Purity
96%
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Ethyl bis(3,5-dibromo-4-hydroxyphenyl)acetate
CAS
94159-40-7
Catalog Number
ACM94159407
Category
Other Products
Molecular Weight
587.880080 [g/mol]
Molecular Formula
C16H12Br4O4
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Specification
Synonyms
EINECS 303-219-2, CID3023844, Ethyl bis(3,5-dibromo-4-hydroxyphenyl)acetate, 94159-40-7
IUPAC Name
ethyl 2,2-bis(3,5-dibromo-4-hydroxyphenyl)acetate
SMILES
CCOC(=O)C(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br
InChI Key
XOOQSZKRNMZVKK-UHFFFAOYSA-N
Boiling Point
507.2ºC at 760mmHg
Flash Point
260.5ºC
Density
2.068g/cm³
EC Number
303-219-2
Exact Mass
583.74700
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular weight of Ethyl bis(3,5-dibromo-4-hydroxyphenyl)acetate?
The molecular weight is 587.9 g/mol.
What is the IUPAC name of Ethyl bis(3,5-dibromo-4-hydroxyphenyl)acetate?
The IUPAC name is ethyl 2,2-bis(3,5-dibromo-4-hydroxyphenyl)acetate.
What is the InChI of Ethyl bis(3,5-dibromo-4-hydroxyphenyl)acetate?
The InChI is InChI=1S/C16H12Br4O4/c1-2-24-16(23)13(7-3-9(17)14(21)10(18)4-7)8-5-11(19)15(22)12(20)6-8/h3-6,13,21-22H,2H2,1H3.
What is the Canonical SMILES of Ethyl bis(3,5-dibromo-4-hydroxyphenyl)acetate?
The Canonical SMILES is CCOC(=O)C(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br.
What is the CAS number of Ethyl bis(3,5-dibromo-4-hydroxyphenyl)acetate?
The CAS number is 94159-40-7.
How many hydrogen bond donor counts does Ethyl bis(3,5-dibromo-4-hydroxyphenyl)acetate have?
It has 2 hydrogen bond donor counts.
What is the topological polar surface area of Ethyl bis(3,5-dibromo-4-hydroxyphenyl)acetate?
The topological polar surface area is 66.8 Ų.
How many rotatable bond counts does Ethyl bis(3,5-dibromo-4-hydroxyphenyl)acetate have?
It has 5 rotatable bond counts.
Is Ethyl bis(3,5-dibromo-4-hydroxyphenyl)acetate a covalently-bonded unit?
Yes, it is a covalently-bonded unit.
What is the formal charge of Ethyl bis(3,5-dibromo-4-hydroxyphenyl)acetate?
The formal charge is 0.
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