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Ethyl 4-Bromobutanoate

CAT: 0572-TRC-E900290-100GSize: 100 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-E900290-100GSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2969-81-5
Synonyms
1-Bromo-3-(carboethoxy)propane; 3-(Ethoxycarbonyl)propyl Bromide; 4-Bromobutanoic Acid Ethyl Ester; 4-Bromobutyric Acid Ethyl Ester; Ethyl 4-Bromobutyrate; Ethyl gamma-Bromobutyrate; NSC 133462; gamma-Bromobutyric Acid Ethyl Ester
Hazard Statement
Causes skin irritation
Purity
>95% (GC)
Smiles
CCOC(=O)CCCBr
Molecular Formula
C6H11BrO2
Molecular Weight
195.05
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Ethyl 4-bromobutyrate
CAS Number2969-81-5
PubChem CID76300
IUPAC Nameethyl 4-bromobutanoate
Molecular FormulaC6H11BrO2
Molecular Weight195.05
XLogP1.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count9
Formal Charge0
Complexity83
SMILES
CCOC(=O)CCCBr
InChI
InChI=1S/C6H11BrO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3
InChIKey
XBPOBCXHALHJFP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 4-bromobutyrate
CAS: 2969-81-5
CID: 76300
Formula: C6H11BrO2
MW: 195.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.05
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass193.99424
Monoisotopic Mass193.99424
Topological Polar Surface Area26.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity83.1
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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