| CAS Number | 1839-15-2 |
| Catalog Number | AG003OT3(AGN-PC-0WOXQX) |
| Chemical Name | Chloroacetic acid-¹³C₂ |
| IUPAC Name | 2-chloroacetic acid |
| InChI | InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)/i1+1,2+1 |
| InChI Key | FOCAUTSVDIKZOP-ZDOIIHCHSA-N |
| MDL Number | MFCD00083920 |
| Molecular Formula | C2H3ClO2 |
| Molecular Weight | 96.4823 |
| SMILES | O[13C]([13C]([H])([H])Cl)=O |
| Synonyms | 1839-15-2,
Chloroacetic acid-13C2,
Monochloroacetic Acid-13C2,
Chloro(~13~C_2_)acetic acid,
DTXSID40746516,
NSC 142-13C2,
NSC 42970-13C2,
Chloroacetic acid-13C2, 99 atom % 13C,
2-chloroacetic acid,
Chloroacetic Acid 13C2,
CS-T-50542,
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| Complexity | 42.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 95.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 5 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 2 |
| Molecular Weight | 96.479g/mol |
| Monoisotopic Mass | 95.989g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number