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Ethyl 3- (2,4-dichlorophenyl) acrylate

CAT: 0127-OR1101862-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1101862-01Size:1 g
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CAS Number
1504-68-3
Purity
98%
Smiles
O=C (/C=C/C1=CC=C (C=C1Cl) Cl) OCC

Chemical Information

Ethyl (2E)-3-(2,4-dichlorophenyl)prop-2-enoate
CAS Number1504-68-3
PubChem CID5706328
IUPAC Nameethyl (E)-3-(2,4-dichlorophenyl)prop-2-enoate
Molecular FormulaC11H10Cl2O2
Molecular Weight245.10
XLogP3.7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity241
SMILES
CCOC(=O)/C=C/C1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C11H10Cl2O2/c1-2-15-11(14)6-4-8-3-5-9(12)7-10(8)13/h3-7H,2H2,1H3/b6-4+
InChIKey
LNURJQJBCBYMGG-GQCTYLIASA-N
Chemical Structure
2D Structure
2D structure of Ethyl (2E)-3-(2,4-dichlorophenyl)prop-2-enoate
CAS: 1504-68-3
CID: 5706328
Formula: C11H10Cl2O2
MW: 245.10
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.10
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass244.0057849
Monoisotopic Mass244.0057849
Topological Polar Surface Area26.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity241
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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