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Butyl 2-bromoacetate

CAT: 0127-OR1057582-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1057582-01Size:100 mg
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CAS Number
18991-98-5
MDL Number
MFCD20621177
Purity
97%
Smiles
O=C(OCCCC)CBr

Chemical Information

Butyl bromoacetate
CAS Number18991-98-5
PubChem CID87883
IUPAC Namebutyl 2-bromoacetate
Molecular FormulaC6H11BrO2
Molecular Weight195.05
XLogP2.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count9
Formal Charge0
Complexity83
SMILES
CCCCOC(=O)CBr
InChI
InChI=1S/C6H11BrO2/c1-2-3-4-9-6(8)5-7/h2-5H2,1H3
InChIKey
NMEGSGKCIWQRDB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butyl bromoacetate
CAS: 18991-98-5
CID: 87883
Formula: C6H11BrO2
MW: 195.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.05
XLogP32.2
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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Alternative Products

CatalogName
443653-01Butyl Bromoacetate
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B27817-01Tert-Butyl bromoacetate 98%
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