sodium (2R)-2-(2-chlorophenyl)-2-hydroxyacetate

C8H6ClNaO3 — CID 141394599

IUPACsodium (2R)-2-(2-chlorophenyl)-2-hydroxyacetate
SMILESO=C([O-])[C@H](O)c1ccccc1Cl.[Na+]
InChIInChI=1S/C8H7ClO3.Na/c9-6-4-2-1-3-5(6)7(10)8(11)12;/h1-4,7,10H,(H,11,12);/q;+1/p-1/t7-;/m1./s1
InChIKeyYHRUSWKIWCVSRL-OGFXRTJISA-M
MW208.58 g/mol
LogP-2.87
Rot. Bonds2

About sodium (2R)-2-(2-chlorophenyl)-2-hydroxyacetate

sodium (2R)-2-(2-chlorophenyl)-2-hydroxyacetate (PubChem CID 141394599) has the molecular formula C8H6ClNaO3 and a molecular weight of 208.58 g/mol. Its IUPAC name is sodium (2R)-2-(2-chlorophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namesodium (2R)-2-(2-chlorophenyl)-2-hydroxyacetate
PubChem CID141394599
Molecular FormulaC8H6ClNaO3
Molecular Weight208.58 g/mol
Exact Mass207.99
IUPAC Namesodium (2R)-2-(2-chlorophenyl)-2-hydroxyacetate
SMILESO=C([O-])[C@H](O)c1ccccc1Cl.[Na+]
InChIInChI=1S/C8H7ClO3.Na/c9-6-4-2-1-3-5(6)7(10)8(11)12;/h1-4,7,10H,(H,11,12);/q;+1/p-1/t7-;/m1./s1
InChIKeyYHRUSWKIWCVSRL-OGFXRTJISA-M
XLogP-2.87
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.58
LogP ≤ 5-2.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-chlorophenyl)-2-hydroxyacetate
CID 6922876
disodium;2-hydroxy-2-(2-oxidophenyl)acetate
CID 59574987
2-(2-chlorophenyl)-2-hydroxyacetic acid;copper
CID 174872808
2-(2-chlorophenyl)butanoate
CID 22456439
azanium 2-hydroxy-2-(2-hydroxyphenyl)acetate
CID 70117945
2-(2-chlorophenyl)-2-hydroxy-N-methylacetamide
CID 23548439
(2R)-2-(2-chlorophenyl)-1-(furan-2-yl)-2-hydroxyethanone
CID 125483360
(2S)-2-(2-chlorophenyl)-1-(furan-2-yl)-2-hydroxyethanone
CID 125483361
1,3-dichloro-1,3-bis(2-chlorophenyl)propan-2-one
CID 172741718
(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 11975499
N-benzyl-2-(2-chlorophenyl)-2-hydroxyacetamide
CID 54257135
sodium 2-[2-(2,6-dichloroanilino)phenyl]butanoate
CID 23672276

Frequently Asked Questions

What is the IUPAC name of sodium (2R)-2-(2-chlorophenyl)-2-hydroxyacetate?
The IUPAC name of sodium (2R)-2-(2-chlorophenyl)-2-hydroxyacetate (CID 141394599) is sodium (2R)-2-(2-chlorophenyl)-2-hydroxyacetate.
What is the SMILES notation for sodium (2R)-2-(2-chlorophenyl)-2-hydroxyacetate?
The canonical SMILES for sodium (2R)-2-(2-chlorophenyl)-2-hydroxyacetate is O=C([O-])[C@H](O)c1ccccc1Cl.[Na+].
What is the InChIKey of sodium (2R)-2-(2-chlorophenyl)-2-hydroxyacetate?
The InChIKey is YHRUSWKIWCVSRL-OGFXRTJISA-M. The full InChI is InChI=1S/C8H7ClO3.Na/c9-6-4-2-1-3-5(6)7(10)8(11)12;/h1-4,7,10H,(H,11,12);/q;+1/p-1/t7-;/m1./s1.
What are the key properties of sodium (2R)-2-(2-chlorophenyl)-2-hydroxyacetate?
sodium (2R)-2-(2-chlorophenyl)-2-hydroxyacetate has a molecular weight of 208.58 g/mol, XLogP of -2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2R)-2-(2-chlorophenyl)-2-hydroxyacetate is sourced from PubChem (CID 141394599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).