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2-Bromoethanol

CAT: 0926-FB31357-02Size: 0.5 KgDry Ice: NoHazardous: No
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CAT#:0926-FB31357-02Size:0.5 Kg
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CAS Number
540-51-2
MDL Number
MFCD00002827
Smiles
C (CBr) O
Molecular Formula
C2H5BrO
Molecular Weight
124.96 g/mol
Controlled
No

Chemical Information

2-Bromoethanol

2-bromoethanol is a colorless to dark brown liquid. Sweet burning taste. (NTP, 1992)

CAS Number540-51-2
PubChem CID10898
IUPAC Name2-bromoethanol
Molecular FormulaC2H5BrO
Molecular Weight124.96
XLogP0.2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count4
Formal Charge0
Complexity10
SMILES
C(CBr)O
InChI
InChI=1S/C2H5BrO/c3-1-2-4/h4H,1-2H2
InChIKey
LDLCZOVUSADOIV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromoethanol
CAS: 540-51-2
CID: 10898
Formula: C2H5BrO
MW: 124.96
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight124.96
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass123.95238
Monoisotopic Mass123.95238
Topological Polar Surface Area20.2 Ų
Heavy Atom Count4
Formal Charge0
Complexity10
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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