(R)-4-Chloromandelic acid - CAS 32189-36-9
Catalog: |
BB021221 |
Product Name: |
(R)-4-Chloromandelic acid |
CAS: |
32189-36-9 |
Synonyms: |
(2R)-2-(4-chlorophenyl)-2-hydroxyacetic acid |
IUPAC Name: | (2R)-2-(4-chlorophenyl)-2-hydroxyacetic acid |
Description: | (R)-4-Chloromandelic acid (CAS# 32189-36-9) is a useful research chemical compound. |
Molecular Weight: | 186.59 |
Molecular Formula: | C8H7ClO3 |
Canonical SMILES: | C1=CC(=CC=C1C(C(=O)O)O)Cl |
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 |
InChI Key: | BWSFWXSSALIZAU-SSDOTTSWSA-N |
Boiling Point: | 361 °C |
Density: | 1.468 g/cm3 |
MDL: | MFCD00798430 |
LogP: | 1.45800 |
GHS Hazard Statement: | H317 (97.44%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P285, P302+P352, P304+P341, P305+P351+P338, P310, P321, P333+P313, P342+P311, P363, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3786290-A1 | Peptides and methods for the carbon-carbon bond formation | 20190831 |
WO-2021038095-A1 | Peptides and methods for the carbon-carbon bond formation | 20190831 |
WO-2020260392-A1 | Compositions and methods for parasite control | 20190624 |
WO-2020115093-A1 | Synergistic compositions comprising (r)-2-(2-oxopyrrolidin-1-yl)butanamide and (s)-2-(2-oxopyrrolidin-1-yl)butanamide in a non-racemic ratio | 20181204 |
WO-2020115096-A1 | Synergistic compositions comprising r-2-(substituted-sulfonyl)-hexahydro-pyrrolo[1,2-a]pyrazin-6(2h)-ones and s-2-(substituted-sulfonyl)-hexahydro-pyrrolo[1,2-a]pyrazin-6(2h)-ones in a non-racemic ratio | 20181204 |
PMID | Publication Date | Title | Journal |
19205041 | 20100101 | Diastereomeric resolution of p-chloromandelic acid with (R)-phenylethylamine | Chirality |
21201902 | 20080206 | (R)-1-Phenyl-ethanaminium (S)-4-chloro-mandelate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.0083718 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.0083718 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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