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3,3-Dichloro-1-propene

CAT: 0572-TRC-D367050-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D367050-250MGSize:250 mg
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CAS Number
563-57-5
Synonyms
3,3-Dichloro-1-propene
Hazard Statement
Harmful if swallowed; UN number: UN2047; Packing Group: III
Smiles
ClC(Cl)C=C
Molecular Formula
C3 H4 Cl2
Molecular Weight
110.97
InChI
InChI=1S/C3H4Cl2/c1-2-3(4)5/h2-3H,1H2
Additionnal Information
IUPAC name: 3,3-dichloroprop-1-ene
Shipping Conditions
Room Temperature

Chemical Information

3,3-Dichloropropene

2,3-dichloropropene is one liquid form of dichloropropene (L893).

CAS Number563-57-5
PubChem CID11244
IUPAC Name3,3-dichloroprop-1-ene
Molecular FormulaC3H4Cl2
Molecular Weight110.97
XLogP2.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity31
SMILES
C=CC(Cl)Cl
InChI
InChI=1S/C3H4Cl2/c1-2-3(4)5/h2-3H,1H2
InChIKey
VRTNIWBNFSHDEB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,3-Dichloropropene
CAS: 563-57-5
CID: 11244
Formula: C3H4Cl2
MW: 110.97
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight110.97
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass109.9690055
Monoisotopic Mass109.9690055
Topological Polar Surface Area0 Ų
Heavy Atom Count5
Formal Charge0
Complexity31.9
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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