Home > Compound List > Compound details
32189-36-9 molecular structure
click picture or here to close

(2R)-2-(4-chlorophenyl)-2-hydroxyacetic acid

ChemBase ID: 293887
Molecular Formular: C8H7ClO3
Molecular Mass: 186.59238
Monoisotopic Mass: 186.00837176
SMILES and InChIs

SMILES:
O=C(O)[C@@H](c1ccc(Cl)cc1)O
Canonical SMILES:
O[C@H](c1ccc(cc1)Cl)C(=O)O
InChI:
InChI=1S/C8H7ClO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m1/s1
InChIKey:
BWSFWXSSALIZAU-SSDOTTSWSA-N

Cite this record

CBID:293887 http://www.chembase.cn/molecule-293887.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-(4-chlorophenyl)-2-hydroxyacetic acid
IUPAC Traditional name
(R)-(4-chlorophenyl)(hydroxy)acetic acid
Synonyms
(R)-2-(4-Chlorophenyl)-2-hydroxyacetic acid
CAS Number
32189-36-9
MDL Number
MFCD00798430
PubChem SID
180679418
PubChem CID
785085

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD47711 Please log in.
Data Source Data ID
PubChem 785085 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.1539183  H Acceptors
H Donor LogD (pH = 5.5) -0.82057804 
LogD (pH = 7.4) -1.9533223  Log P 1.4998803 
Molar Refractivity 43.5086 cm3 Polarizability 17.094133 Å3
Polar Surface Area 57.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle