(2-chlorophenyl) (2R)-2-bromopropanoate

C9H8BrClO2 — CID 91194587

IUPAC(2-chlorophenyl) (2R)-2-bromopropanoate
SMILESC[C@@H](Br)C(=O)Oc1ccccc1Cl
InChIInChI=1S/C9H8BrClO2/c1-6(10)9(12)13-8-5-3-2-4-7(8)11/h2-6H,1H3/t6-/m1/s1
InChIKeyXSYHMZKNIDULLS-ZCFIWIBFSA-N
MW263.52 g/mol
LogP3.03
Rot. Bonds2

About (2-chlorophenyl) (2R)-2-bromopropanoate

(2-chlorophenyl) (2R)-2-bromopropanoate (PubChem CID 91194587) has the molecular formula C9H8BrClO2 and a molecular weight of 263.52 g/mol. Its IUPAC name is (2-chlorophenyl) (2R)-2-bromopropanoate.

Molecular Properties

Compound Name(2-chlorophenyl) (2R)-2-bromopropanoate
PubChem CID91194587
Molecular FormulaC9H8BrClO2
Molecular Weight263.52 g/mol
Exact Mass261.94
IUPAC Name(2-chlorophenyl) (2R)-2-bromopropanoate
SMILESC[C@@H](Br)C(=O)Oc1ccccc1Cl
InChIInChI=1S/C9H8BrClO2/c1-6(10)9(12)13-8-5-3-2-4-7(8)11/h2-6H,1H3/t6-/m1/s1
InChIKeyXSYHMZKNIDULLS-ZCFIWIBFSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-chlorophenyl) (2S)-2-(methylamino)propanoate
CID 175000753
[2-(2-bromopropanoyloxy)phenyl]-diphenylsulfanium
CID 156684033
(2-chlorophenyl) 3-aminopropanoate
CID 82112337
(2-chlorophenyl) 2-aminoacetate;hydrochloride
CID 174643390
(2-chlorophenyl) 2-chloro-3-oxo-3-phenylpropanoate
CID 175409197
(2-chlorophenyl) N-(2-aminopropyl)carbamate
CID 83823727
(2-chlorophenyl) 2-methoxyacetate
CID 542147
(2,6-dimethylphenyl) 2-bromopropanoate
CID 167289802
(3-chlorophenyl) 2-bromopropanoate
CID 87059196
2-[(2-chlorophenoxy)carbonylamino]propanoic acid
CID 83825067
(1-aminonaphthalen-2-yl) 2-bromopropanoate
CID 162508853
(2-chlorophenyl) (4-propan-2-yloxyphenyl) carbonate
CID 21467853

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) (2R)-2-bromopropanoate?
The IUPAC name of (2-chlorophenyl) (2R)-2-bromopropanoate (CID 91194587) is (2-chlorophenyl) (2R)-2-bromopropanoate.
What is the SMILES notation for (2-chlorophenyl) (2R)-2-bromopropanoate?
The canonical SMILES for (2-chlorophenyl) (2R)-2-bromopropanoate is C[C@@H](Br)C(=O)Oc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl) (2R)-2-bromopropanoate?
The InChIKey is XSYHMZKNIDULLS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H8BrClO2/c1-6(10)9(12)13-8-5-3-2-4-7(8)11/h2-6H,1H3/t6-/m1/s1.
What are the key properties of (2-chlorophenyl) (2R)-2-bromopropanoate?
(2-chlorophenyl) (2R)-2-bromopropanoate has a molecular weight of 263.52 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) (2R)-2-bromopropanoate is sourced from PubChem (CID 91194587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).