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Methyl-2-bromopentanoate

CAT: 0572-TRC-M265100-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M265100-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19129-92-1
Synonyms
(±)-Methyl 2-Bromopentanoate; 2-Bromovaleric Acid Methyl Ester; Methyl 2-Bromopentanoate; Methyl alpha-Bromopentanoate; Methyl alpha-Bromovalerate
Hazard Statement
Combustible liquid and vapour.
Smiles
CCCC(Br)C(=O)OC
Molecular Formula
C6H11BrO2
Molecular Weight
195.05
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Methyl 2-bromopentanoate
CAS Number19129-92-1
PubChem CID529992
IUPAC Namemethyl 2-bromopentanoate
Molecular FormulaC6H11BrO2
Molecular Weight195.05
XLogP2.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity93
SMILES
CCCC(C(=O)OC)Br
InChI
InChI=1S/C6H11BrO2/c1-3-4-5(7)6(8)9-2/h5H,3-4H2,1-2H3
InChIKey
MGMWQSVSOGNGPL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-bromopentanoate
CAS: 19129-92-1
CID: 529992
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 Count4
Exact Mass193.99424
Monoisotopic Mass193.99424
Topological Polar Surface Area26.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity93.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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