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Ethyl 3,4-difluorobenzoate

CAT: 0024-sc-257469Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-257469Size:5 g
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CAS Number
144267-96-9

Chemical Information

Ethyl 3,4-difluorobenzoate
CAS Number144267-96-9
PubChem CID2737171
IUPAC Nameethyl 3,4-difluorobenzoate
Molecular FormulaC9H8F2O2
Molecular Weight186.15
XLogP2.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity184
SMILES
CCOC(=O)C1=CC(=C(C=C1)F)F
InChI
InChI=1S/C9H8F2O2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3
InChIKey
NKIWNSXGZXESSM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 3,4-difluorobenzoate
CAS: 144267-96-9
CID: 2737171
Formula: C9H8F2O2
MW: 186.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.15
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass186.04923582
Monoisotopic Mass186.04923582
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity184
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
PC3201J-01Ethyl 3,4-difluorobenzoate
PC1017067-01Ethyl 2-ethyl-3,4-difluorobenzoate
448973-01Ethyl 2,4-difluorobenzoate
PC1025740Ethyl 3-bromo-2,4-difluorobenzoate
PC1013346-01Ethyl 2-bromo-3,4-difluorobenzoate
PC1016859Ethyl 3- (benzyloxy) -2,4-difluorobenzoate
PC99015-01Ethyl 2-chloro-3,4-difluorobenzoate
PC1009801Ethyl 4-chloro-3,5-difluorobenzoate
PC100698-01Ethyl 2-amino-3,4-difluorobenzoate
PC201137Ethyl 4-amino-3,5-difluorobenzoate

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