| CAS Number | 64891-77-6 |
| Catalog Number | AG003OK6(AGN-PC-0TECA2) |
| Chemical Name | Bromoacetic acid-2-¹³C |
| IUPAC Name | 2-bromoacetic acid |
| InChI | InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)/i1+1 |
| InChI Key | KDPAWGWELVVRCH-OUBTZVSYSA-N |
| MDL Number | MFCD00002681 |
| Molecular Formula | C24H29ClO5 |
| Molecular Weight | 432.9371 |
| SMILES | CC(=O)OC1(C(C)=O)[C@]2(C)[C@H]([C@H](O)C1)[C@H]3[C@@H](CC2)[C@@]4(C)[C@H]5[C@@H](C(=O)C=C4C(Cl)=C3)C5 |
| Synonyms | 64891-77-6,
bromoacetic-2-13c acid,
Bromoacetic acid-2-13C,
SCHEMBL1332022,
DTXSID10444597,
Bromoacetic acid-2-13C 99 atom % 13C,
Bromoacetic acid-2-13C, 99 atom % 13C,
FT-0700929,
C-33556,
2-Bromoacetic acid,
BROMOACETIC ACID,
CID10773057,
|
| Complexity | 42.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 5 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 1 |
| Molecular Weight | 139.94g/mol |
| Monoisotopic Mass | 138.935g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number