2-bromo(213C)ethanol

C2H5BrO — CID 71308829

IUPAC2-bromo(213C)ethanol
SMILESOC[13CH2]Br
InChIInChI=1S/C2H5BrO/c3-1-2-4/h4H,1-2H2/i1+1
InChIKeyLDLCZOVUSADOIV-OUBTZVSYSA-N
MW125.96 g/mol
LogP0.37
Rot. Bonds1

About 2-bromo(213C)ethanol

2-bromo(213C)ethanol (PubChem CID 71308829) has the molecular formula C2H5BrO and a molecular weight of 125.96 g/mol. Its IUPAC name is 2-bromo(213C)ethanol.

Molecular Properties

Compound Name2-bromo(213C)ethanol
PubChem CID71308829
Molecular FormulaC2H5BrO
Molecular Weight125.96 g/mol
Exact Mass124.96
IUPAC Name2-bromo(213C)ethanol
SMILESOC[13CH2]Br
InChIInChI=1S/C2H5BrO/c3-1-2-4/h4H,1-2H2/i1+1
InChIKeyLDLCZOVUSADOIV-OUBTZVSYSA-N
XLogP0.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.96
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-Bromoethanol
CID 10898
3-Bromo-1-propanol
CID 12308
Ethanol, 2,2-dibromo-
CID 123582
2-Bromoethanol-1,1,2,2-d4
CID 12359290
2-Bromo-2-fluoroethan-1-ol
CID 44558578
3-Bromo(~2~H_6_)propan-1-ol
CID 59596021
3-Bromo(~13~C_3_)propan-1-ol
CID 71309532
2-Bromoethanol-13C2,1,1,2,2-d4
CID 124202661
Monobromo ethylene glycol
CID 11829546
Ethanol, 1-bromo-
CID 14202443
2-Tribromoethanol
CID 19422875
1,2-Dibromoethanol
CID 53691297

Frequently Asked Questions

What is the IUPAC name of 2-bromo(213C)ethanol?
The IUPAC name of 2-bromo(213C)ethanol (CID 71308829) is 2-bromo(213C)ethanol.
What is the SMILES notation for 2-bromo(213C)ethanol?
The canonical SMILES for 2-bromo(213C)ethanol is OC[13CH2]Br.
What is the InChIKey of 2-bromo(213C)ethanol?
The InChIKey is LDLCZOVUSADOIV-OUBTZVSYSA-N. The full InChI is InChI=1S/C2H5BrO/c3-1-2-4/h4H,1-2H2/i1+1.
What are the key properties of 2-bromo(213C)ethanol?
2-bromo(213C)ethanol has a molecular weight of 125.96 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo(213C)ethanol is sourced from PubChem (CID 71308829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).