CAS
94441-89-1 Purity
96%
94441-89-1 Purity
96%
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1,2,4,5-Tetrabromo-3,6-bis[(pentabromophenoxy)methyl]benzene
CAS
94441-97-1
Catalog Number
ACM94441971
Category
Other Products
Molecular Weight
1394.900560 [g/mol]
Molecular Formula
C20H4Br14O2
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Specification
Synonyms
94441-97-1, 1,2,4,5-TETRABROMO-3,6-BIS[(PENTABROMOPHENOXY)METHYL]BENZENE, 1,2,4,5-Tetrabromo-3,6-bis((pentabromophenoxy)methyl)benzene, EINECS 305-322-8, AC1MIG9K, CTK5H6582, AG-H-89926, 1,2,3,4,5-pentabromo-6-[[2,3,5,6-tetrabromo-4-[(2,3,4,5,6-pentabromophenoxy)methyl]phenyl]methoxy]benzene
IUPAC Name
1,2,3,4,5-pentabromo-6-[[2,3,5,6-tetrabromo-4-[(2,3,4,5,6-pentabromophenoxy)methyl]phenyl]methoxy]benzene
SMILES
C(C1=C(C(=C(C(=C1Br)Br)COC2=C(C(=C(C(=C2Br)Br)Br)Br)Br)Br)Br)OC3=C(C(=C(C(=C3Br)Br)Br)Br)Br
InChI Key
COCIGRUDDLZNTQ-UHFFFAOYSA-N
Boiling Point
867.8ºC at 760mmHg
Flash Point
372.6ºC
Density
2.873g/cm³
EC Number
305-322-8
Exact Mass
1380.88000
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 1,2,4,5-Tetrabromo-3,6-bis[(pentabromophenoxy)methyl]benzene?
The molecular formula is C20H4Br14O2.
What is the molecular weight of 1,2,4,5-Tetrabromo-3,6-bis[(pentabromophenoxy)methyl]benzene?
The molecular weight is 1394.9 g/mol.
What is the IUPAC name of 1,2,4,5-Tetrabromo-3,6-bis[(pentabromophenoxy)methyl]benzene?
The IUPAC name is 1,2,3,4,5-pentabromo-6-[[2,3,5,6-tetrabromo-4-[(2,3,4,5,6-pentabromophenoxy)methyl]phenyl]methoxy]benzene.
What is the Canonical SMILES of 1,2,4,5-Tetrabromo-3,6-bis[(pentabromophenoxy)methyl]benzene?
The Canonical SMILES is C(C1=C(C(=C(C(=C1Br)Br)COC2=C(C(=C(C(=C2Br)Br)Br)Br)Br)Br)Br)OC3=C(C(=C(C(=C3Br)Br)Br)Br)Br.
What is the InChIKey of 1,2,4,5-Tetrabromo-3,6-bis[(pentabromophenoxy)methyl]benzene?
The InChIKey is COCIGRUDDLZNTQ-UHFFFAOYSA-N.
What is the CAS number of 1,2,4,5-Tetrabromo-3,6-bis[(pentabromophenoxy)methyl]benzene?
The CAS number is 94441-97-1.
What is the XLogP3-AA value of 1,2,4,5-Tetrabromo-3,6-bis[(pentabromophenoxy)methyl]benzene?
The XLogP3-AA value is 14.5.
How many hydrogen bond acceptors does 1,2,4,5-Tetrabromo-3,6-bis[(pentabromophenoxy)methyl]benzene have?
It has 2 hydrogen bond acceptors.
What is the topological polar surface area of 1,2,4,5-Tetrabromo-3,6-bis[(pentabromophenoxy)methyl]benzene?
The topological polar surface area is 18.5 Å2.
Is 1,2,4,5-Tetrabromo-3,6-bis[(pentabromophenoxy)methyl]benzene considered canonicalized?
Yes, the compound is canonicalized.
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