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Methyl 2-bromo-2-methylpentanoate

CAT: 0926-TAA19770-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-TAA19770-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18197-70-1
MDL Number
MFCD25960253
Smiles
CCCC (C) (C (=O) OC) Br
Molecular Formula
C7H13BrO2
Molecular Weight
209.08 g/mol
Controlled
No

Chemical Information

Methyl 2-bromo-2-methylpentanoate
CAS Number18197-70-1
PubChem CID75481423
IUPAC Namemethyl 2-bromo-2-methylpentanoate
Molecular FormulaC7H13BrO2
Molecular Weight209.08
XLogP2.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity125
SMILES
CCCC(C)(C(=O)OC)Br
InChI
InChI=1S/C7H13BrO2/c1-4-5-7(2,8)6(9)10-3/h4-5H2,1-3H3
InChIKey
PVXRNWXASGBLCN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-bromo-2-methylpentanoate
CAS: 18197-70-1
CID: 75481423
Formula: C7H13BrO2
MW: 209.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight209.08
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass208.00989
Monoisotopic Mass208.00989
Topological Polar Surface Area26.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity125
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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