CAS
94441-90-4 Purity
96%
94441-90-4 Purity
96%
![Bis[2-[benzyl(ethoxycarbonyl)amino]-4-(cyclohexylmethylamino)-3-methoxybenzenediazonium chloride],oxalate](https://resource.alfa-chemistry.com/structure/94442-07-6.gif)
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Bis-(pentabromobenzyl)tetrabromoterephthalate
CAS
94441-98-2
Catalog Number
ACM94441982
Category
Other Products
Molecular Weight
1450.92076;g/mol
Molecular Formula
C22H4Br14O4
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Specification
IUPAC Name
bis[(2,3,4,5,6-pentabromophenyl)methyl]2,3,5,6-tetrabromobenzene-1,4-dicarboxylate
Canonical SMILES
C(C1=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC(=O)C2=C(C(=C(C(=C2Br)Br)C(=O)OCC3=C(C(=C(C(=C3Br)Br)Br)Br)Br)Br)Br
InChI Key
RIYVASNPCAGQKQ-UHFFFAOYSA-N
EC Number
305-323-3
What is the molecular formula of Bis-(pentabromobenzyl)tetrabromoterephthalate?
The molecular formula is C22H4Br14O4.
When was Bis-(pentabromobenzyl)tetrabromoterephthalate created in PubChem?
It was created on July 12, 2012.
What is the IUPAC name of Bis-(pentabromobenzyl)tetrabromoterephthalate?
The IUPAC name is bis[dibromo-(2,3,4-tribromophenyl)methyl] 2,3,5,6-tetrabromobenzene-1,4-dicarboxylate.
What is the InChI of Bis-(pentabromobenzyl)tetrabromoterephthalate?
The InChI is InChI=1S/C22H4Br14O4/c23-7-3-1-5(11(25)13(7)27)21(33,34)39-19(37)9-15(29)17(31)10(18(32)16(9)30)20(38)40-22(35,36)6-2-4-8(24)14(28)12(6)26/h1-4H.
What is the molecular weight of Bis-(pentabromobenzyl)tetrabromoterephthalate?
The molecular weight is 1450.9 g/mol.
What is the XLogP3-AA value of Bis-(pentabromobenzyl)tetrabromoterephthalate?
The XLogP3-AA value is 14.7.
How many hydrogen bond donor counts does Bis-(pentabromobenzyl)tetrabromoterephthalate have?
It has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does Bis-(pentabromobenzyl)tetrabromoterephthalate have?
It has 4 hydrogen bond acceptor counts.
How many rotatable bond counts does Bis-(pentabromobenzyl)tetrabromoterephthalate have?
It has 8 rotatable bond counts.
Is Bis-(pentabromobenzyl)tetrabromoterephthalate a canonicalized compound?
Yes, Bis-(pentabromobenzyl)tetrabromoterephthalate is a canonicalized compound.
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CAS
94441-97-1 Purity
96%
94441-97-1 Purity
96%
