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Ethyl 2- (3,5-dichlorophenyl) acetate

CAT: 0926-AIA21460Size: 2.5 gDry Ice: NoHazardous: No
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CAT#:0926-AIA21460Size:2.5 g
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CAS Number
200214-60-4
MDL Number
MFCD23098648
Smiles
CCOC (=O) CC1=CC (=CC (=C1) Cl) Cl
Molecular Formula
C10H10Cl2O2
Molecular Weight
233.09 g/mol
Controlled
No

Chemical Information

Ethyl 2-(3,5-dichlorophenyl)acetate
CAS Number200214-60-4
PubChem CID22600082
IUPAC Nameethyl 2-(3,5-dichlorophenyl)acetate
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09
XLogP3.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity187
SMILES
CCOC(=O)CC1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C10H10Cl2O2/c1-2-14-10(13)5-7-3-8(11)6-9(12)4-7/h3-4,6H,2,5H2,1H3
InChIKey
WMXMFJJIJKZOGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2-(3,5-dichlorophenyl)acetate
CAS: 200214-60-4
CID: 22600082
Formula: C10H10Cl2O2
MW: 233.09
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight233.09
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass232.0057849
Monoisotopic Mass232.0057849
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity187
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