| CAS Number | 4704-87-4 |
| Catalog Number | AG00DFEH(AGN-PC-0N0T23) |
| Chemical Name | 2-Bromo-1,3-propanediol |
| IUPAC Name | 2-bromopropane-1,3-diol |
| InChI | InChI=1S/C3H7BrO2/c4-3(1-5)2-6/h3,5-6H,1-2H2 |
| InChI Key | HULFLYYUFHXCLJ-UHFFFAOYSA-N |
| MDL Number | MFCD20621423 |
| Molecular Formula | C3H7BrO2 |
| Molecular Weight | 154.9905 |
| SMILES | C(C(CO)Br)O |
| Synonyms | 2-Bromo-1,3-propanediol,
4704-87-4,
Glycerol |A-Bromohydrin,
Glycerol beta-bromohydrin,
Glycerol |A-Bromohydrin;,
2-bromo-1 ,3-propanediol,
SCHEMBL3419520,
DTXSID40436849,
ZINC38391963,
FT-0663850,
2-bromopropane-1,3-diol,
CID10219554,
|
| Complexity | 28 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.991g/mol |
| Monoisotopic Mass | 153.963g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number