CAS
9030-05-1 Purity
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9030-05-1 Purity
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(E)-Beta-2,3,4,5,6-hexachlorostyrene
CAS
90301-92-1
Catalog Number
ACM90301921
Category
Other Products
Molecular Weight
310.8
Molecular Formula
C8H2Cl6
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Specification
Synonyms
trans-Hexachlorostyrene, CCRIS 5680, 90301-92-1, AC1L4775, (E)-beta,2,3,4,5,6-Hexachlorostyrene, LS-188831, 1,2,3-trichloro-4-(trichloroethenyl)benzene, Benzene, pentachloro(2-chloroethenyl)-, (E)-, 1,2,3-trichloro-4-(1,2,2-trichloroethenyl)benzene
IUPAC Name
1,2,3-trichloro-4-(1,2,2-trichloroethenyl)benzene
Canonical SMILES
C1=CC(=C(C(=C1C(=C(Cl)Cl)Cl)Cl)Cl)Cl
InChI Key
RSEIQYACGPEBJD-UHFFFAOYSA-N
Boiling Point
351.7ºC at 760 mmHg
Flash Point
170.5ºC
Density
1.661g/cm³
Exact Mass
307.82900
H-Bond Acceptor
0
H-Bond Donor
0
What is the molecular formula of (E)-Beta-2,3,4,5,6-hexachlorostyrene?
The molecular formula is C8H2Cl6.
What is the molecular weight of (E)-Beta-2,3,4,5,6-hexachlorostyrene?
The molecular weight is 310.8 g/mol.
What is the IUPAC name of (E)-Beta-2,3,4,5,6-hexachlorostyrene?
The IUPAC name is 1,2,3,4,5-pentachloro-6-[(E)-2-chloroethenyl]benzene.
What is the InChI of (E)-Beta-2,3,4,5,6-hexachlorostyrene?
The InChI is InChI=1S/C8H2Cl6/c9-2-1-3-4(10)6(12)8(14)7(13)5(3)11/h1-2H/b2-1+.
What is the InChIKey of (E)-Beta-2,3,4,5,6-hexachlorostyrene?
The InChIKey is FHYTVYKUXNWGBE-OWOJBTEDSA-N.
What is the canonical SMILES of (E)-Beta-2,3,4,5,6-hexachlorostyrene?
The canonical SMILES is C(=CCl)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl.
What is the isomeric SMILES of (E)-Beta-2,3,4,5,6-hexachlorostyrene?
The isomeric SMILES is C(=C/Cl)\C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl.
What is the XLogP3-AA value of (E)-Beta-2,3,4,5,6-hexachlorostyrene?
The XLogP3-AA value is 6.1.
How many rotatable bonds does (E)-Beta-2,3,4,5,6-hexachlorostyrene have?
(E)-Beta-2,3,4,5,6-hexachlorostyrene has 1 rotatable bond.
Is (E)-Beta-2,3,4,5,6-hexachlorostyrene a canonicalized compound?
Yes, (E)-Beta-2,3,4,5,6-hexachlorostyrene is a canonicalized compound.
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