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1,3,3-Trichloropropene

CAT: 0572-TRC-T773565-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T773565-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26556-03-6
Synonyms
1,3,3-Trichloro-1-propene;
Hazard Statement
No Data Available
Smiles
ClC(Cl)/C=C/Cl
Molecular Formula
C3H3Cl3
Molecular Weight
145.41
InChI
InChI=1S/C3H3Cl3/c4-2-1-3(5)6/h1-3H/b2-1+
Additionnal Information
IUPAC name: (E)-1,3,3-trichloroprop-1-ene
Shipping Conditions
Room Temperature

Chemical Information

1-Propene, 1,3,3-trichloro-
CAS Number26556-03-6
PubChem CID117819
IUPAC Name1,3,3-trichloroprop-1-ene
Molecular FormulaC3H3Cl3
Molecular Weight145.41
XLogP2.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity48
SMILES
C(=CCl)C(Cl)Cl
InChI
InChI=1S/C3H3Cl3/c4-2-1-3(5)6/h1-3H
InChIKey
KHMZDLNSWZGRDB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Propene, 1,3,3-trichloro-
CAS: 26556-03-6
CID: 117819
Formula: C3H3Cl3
MW: 145.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight145.41
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass143.930033
Monoisotopic Mass143.930033
Topological Polar Surface Area0 Ų
Heavy Atom Count6
Formal Charge0
Complexity48
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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