2-Chloromandelic acid - CAS 10421-85-9
Catalog: |
BB001360 |
Product Name: |
2-Chloromandelic acid |
CAS: |
10421-85-9 |
Synonyms: |
2-(2-chlorophenyl)-2-hydroxyacetic acid |
IUPAC Name: | 2-(2-chlorophenyl)-2-hydroxyacetic acid |
Description: | 2-Chloromandelic acid (CAS# 10421-85-9) is a useful research chemical. |
Molecular Weight: | 186.59 |
Molecular Formula: | C8H7ClO3 |
Canonical SMILES: | C1=CC=C(C(=C1)C(C(=O)O)O)Cl |
InChI: | InChI=1S/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12) |
InChI Key: | RWOLDZZTBNYTMS-UHFFFAOYSA-N |
Boiling Point: | 350.3 ℃ at 760 mmHg |
Melting Point: | 80-85 ℃ |
Purity: | 95 % |
Density: | 1.468 g/cm3 |
Appearance: | White crystalline powder |
Storage: | Store in a cool, dry place. Store in a tightly closed container. |
MDL: | MFCD00084962 |
LogP: | 1.45800 |
Publication Number | Title | Priority Date |
CN-112358530-A | Polypeptide tag, highly soluble recombinant nitrilase and application of polypeptide tag and highly soluble recombinant nitrilase in synthesis of medicinal chemicals | 20201103 |
CN-112358530-B | Polypeptide tag, highly soluble recombinant nitrilase and application of polypeptide tag and highly soluble recombinant nitrilase in synthesis of medicinal chemicals | 20201103 |
CN-111778199-A | Bacillus subtilis and application thereof | 20200907 |
CN-111778199-B | Bacillus subtilis and application thereof | 20200907 |
CN-111848497-A | Clopidogrel active metabolite derivative, prodrug thereof, preparation method and application thereof | 20200728 |
PMID | Publication Date | Title | Journal |
22454104 | 20120701 | Efficient production of (R)-o-chloromandelic acid by deracemization of o-chloromandelonitrile with a new nitrilase mined from Labrenzia aggregata | Applied microbiology and biotechnology |
22508329 | 20120501 | Resolution of 2-chloromandelic acid with (R)-(+)-N-benzyl-1-phenylethylamine: chiral discrimination mechanism | Chirality |
22117223 | 20120214 | The isolation of a metastable conglomerate using a combined computational and controlled crystallization approach | Chemical communications (Cambridge, England) |
18837015 | 20090501 | Identification and characterization of solid-state nature of 2-chloromandelic acid | Journal of pharmaceutical sciences |
18074154 | 20080801 | Preparation of (R)-(-)-mandelic acid and its derivatives from racemates by enantioselective degradation with a newly isolated bacterial strain Alcaligenes sp. ECU0401 | Bioprocess and biosystems engineering |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
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 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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