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Ethyl 3-bromophenylacetate

CAT: 0127-OR907639Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
14062-30-7
MDL Number
MFCD09953130
Purity
98%
Smiles
CCOC(=O)Cc1cccc(Br)c1

Chemical Information

Ethyl 3-(bromophenyl)acetate
CAS Number14062-30-7
PubChem CID11470552
IUPAC Nameethyl 2-(3-bromophenyl)acetate
Molecular FormulaC10H11BrO2
Molecular Weight243.10
XLogP3.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity170
SMILES
CCOC(=O)CC1=CC(=CC=C1)Br
InChI
InChI=1S/C10H11BrO2/c1-2-13-10(12)7-8-4-3-5-9(11)6-8/h3-6H,2,7H2,1H3
InChIKey
CAERSDJFKGMKLY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 3-(bromophenyl)acetate
CAS: 14062-30-7
CID: 11470552
Formula: C10H11BrO2
MW: 243.10
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight243.10
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass241.99424
Monoisotopic Mass241.99424
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity170
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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