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Bis (2,4-dichlorophenyl) carbonate

CAT: 0931-T30462-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T30462-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26496-99-1
Target
Others
Related Pathways
Others
Bioactivity
Bis (2,4-dichlorophenyl) carbonate is a biochemical.
Smiles
O=C(OC1=CC=C(Cl)C=C1Cl)OC2=CC=C(Cl)C=C2Cl
Molecular Formula
C13H6Cl4O3
Molecular Weight
352
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bis(2,4-dichlorophenyl) carbonate
CAS Number26496-99-1
PubChem CID95871
IUPAC Namebis(2,4-dichlorophenyl) carbonate
Molecular FormulaC13H6Cl4O3
Molecular Weight352.0
XLogP6.1
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity312
SMILES
C1=CC(=C(C=C1Cl)Cl)OC(=O)OC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H6Cl4O3/c14-7-1-3-11(9(16)5-7)19-13(18)20-12-4-2-8(15)6-10(12)17/h1-6H
InChIKey
HBLSZXRYFSCREB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis(2,4-dichlorophenyl) carbonate
CAS: 26496-99-1
CID: 95871
Formula: C13H6Cl4O3
MW: 352.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.0
XLogP36.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass351.904155
Monoisotopic Mass349.907105
Topological Polar Surface Area35.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity312
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5780095Bis(2,4-dichlorophenyl) carbonate
OR24518Chloromethyl (2,4-dichlorophenyl) carbonate
sc-2986232,4-Dichlorophenyl ethyl carbonate
GTR19223790-01Bis (2,4-dichlorophenyl) carbonate
sc-318131A5-Amino-2,4-dichlorophenyl ethyl carbonate
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MBS58266894-Nitrophenyl 2-methylbutyl carbonate
MBS5780096Bis(2,4-dinitrophenyl)carbonate
sc-3351432-Chloro-4-fluorophenol carbonate
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