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Methyl (R) -2-bromobutanoate

CAT: 0127-OR1067450-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1067450-01Size:250 mg
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CAS Number
114438-75-4
MDL Number
MFCD20622163
Purity
98%
Smiles
Br[C@@H](C(OC)=O)CC

Chemical Information

methyl (2R)-2-bromobutanoate
CAS Number114438-75-4
PubChem CID7000150
IUPAC Namemethyl (2R)-2-bromobutanoate
Molecular FormulaC5H9BrO2
Molecular Weight181.03
XLogP1.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity82
SMILES
CC[C@H](C(=O)OC)Br
InChI
InChI=1S/C5H9BrO2/c1-3-4(6)5(7)8-2/h4H,3H2,1-2H3/t4-/m1/s1
InChIKey
UFQQDNMQADCHGH-SCSAIBSYSA-N
Chemical Structure
2D Structure
2D structure of methyl (2R)-2-bromobutanoate
CAS: 114438-75-4
CID: 7000150
Formula: C5H9BrO2
MW: 181.03
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.03
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass179.97859
Monoisotopic Mass179.97859
Topological Polar Surface Area26.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity82.5
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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