| CAS Number | 1447671-69-3 |
| Catalog Number | AG01F4J8(AGN-PC-3H491N) |
| Chemical Name | Methyl 4-chloro-3,3-difluorobutanoate |
| IUPAC Name | methyl 4-chloro-3,3-difluorobutanoate |
| InChI | InChI=1S/C5H7ClF2O2/c1-10-4(9)2-5(7,8)3-6/h2-3H2,1H3 |
| InChI Key | CNGWGAVQCFAGOT-UHFFFAOYSA-N |
| MDL Number | MFCD25371530 |
| Molecular Formula | C5H7ClF2O2 |
| Molecular Weight | 172.5577 |
| SMILES | C(CC(=O)OC)(CCl)(F)F |
| Synonyms | Methyl 4-chloro-3,3-difluorobutyrate,
1447671-69-3,
Methyl 4-chloro-3,3-difluorobutanoate,
ZINC95147692,
FS-5698,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.556g/mol |
| Monoisotopic Mass | 172.01g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number