(2R)-2-bromo-2-chloroacetate

C2HBrClO2- — CID 11904280

IUPAC(2R)-2-bromo-2-chloroacetate
SMILESO=C([O-])[C@H](Cl)Br
InChIInChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)/p-1/t1-/m0/s1
InChIKeyGEHJBWKLJVFKPS-SFOWXEAESA-M
MW172.38 g/mol
LogP-0.30
Rot. Bonds1

About (2R)-2-bromo-2-chloroacetate

(2R)-2-bromo-2-chloroacetate (PubChem CID 11904280) has the molecular formula C2HBrClO2- and a molecular weight of 172.38 g/mol. Its IUPAC name is (2R)-2-bromo-2-chloroacetate.

Molecular Properties

Compound Name(2R)-2-bromo-2-chloroacetate
PubChem CID11904280
Molecular FormulaC2HBrClO2-
Molecular Weight172.38 g/mol
Exact Mass170.89
IUPAC Name(2R)-2-bromo-2-chloroacetate
SMILESO=C([O-])[C@H](Cl)Br
InChIInChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)/p-1/t1-/m0/s1
InChIKeyGEHJBWKLJVFKPS-SFOWXEAESA-M
XLogP-0.30
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.38
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloropropanedioate
CID 19901306
calcium bis(2,2-dichloroacetate)
CID 56953502
bis(2,2-dichloroacetate);nickel(2+)
CID 18984292
(2S,3S)-2,3-dibromobutanedioate
CID 6992600
cobalt(2+);bis(2,2-dichloroacetate)
CID 18984290
bis(2,2-dichloroacetate);iron(2+)
CID 18984297
disodium;2-chloropropanedioate
CID 118724292
calcium 2-bromopropanedioate
CID 153352123
2-chloro-3-methylbutanoate
CID 19083669
3-chloro-2-methylbutanoate
CID 19773769
potassium 2-chloro-3-oxopropanoate
CID 87271899
bis(2,3-dichloropropanoate);mercury(2+)
CID 22603891

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-2-chloroacetate?
The IUPAC name of (2R)-2-bromo-2-chloroacetate (CID 11904280) is (2R)-2-bromo-2-chloroacetate.
What is the SMILES notation for (2R)-2-bromo-2-chloroacetate?
The canonical SMILES for (2R)-2-bromo-2-chloroacetate is O=C([O-])[C@H](Cl)Br.
What is the InChIKey of (2R)-2-bromo-2-chloroacetate?
The InChIKey is GEHJBWKLJVFKPS-SFOWXEAESA-M. The full InChI is InChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)/p-1/t1-/m0/s1.
What are the key properties of (2R)-2-bromo-2-chloroacetate?
(2R)-2-bromo-2-chloroacetate has a molecular weight of 172.38 g/mol, XLogP of -0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-2-chloroacetate is sourced from PubChem (CID 11904280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).