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(S) -Methyl 2-bromopropanoate

CAT: 0127-OR1066525-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1066525-01Size:100 mg
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CAS Number
62076-23-7
MDL Number
MFCD20621227
Purity
98%
Smiles
C[C@H](Br)C(OC)=O

Chemical Information

methyl (2S)-2-bromopropanoate
CAS Number62076-23-7
PubChem CID638138
IUPAC Namemethyl (2S)-2-bromopropanoate
Molecular FormulaC4H7BrO2
Molecular Weight167.00
XLogP1.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity72
SMILES
C[C@@H](C(=O)OC)Br
InChI
InChI=1S/C4H7BrO2/c1-3(5)4(6)7-2/h3H,1-2H3/t3-/m0/s1
InChIKey
ACEONLNNWKIPTM-VKHMYHEASA-N
Chemical Structure
2D Structure
2D structure of methyl (2S)-2-bromopropanoate
CAS: 62076-23-7
CID: 638138
Formula: C4H7BrO2
MW: 167.00
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight167.00
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass165.96294
Monoisotopic Mass165.96294
Topological Polar Surface Area26.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity72.1
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