| CAS Number | 1027513-91-2 |
| Catalog Number | AG019Y08 |
| Chemical Name | 2-(3-Chlorophenyl)-2,2-difluoroacetic acid |
| IUPAC Name | 2-(3-chlorophenyl)-2,2-difluoroacetic acid |
| InChI | InChI=1S/C8H5ClF2O2/c9-6-3-1-2-5(4-6)8(10,11)7(12)13/h1-4H,(H,12,13) |
| InChI Key | RVWPKAZAYUYMND-UHFFFAOYSA-N |
| MDL Number | MFCD11007696 |
| Molecular Formula | C8H5ClF2O2 |
| Molecular Weight | 206.5739 |
| SMILES | ClC=1C=C(C=CC1)C(C(=O)O)(F)F |
| Synonyms | 2-(3-chlorophenyl)-2,2-difluoroacetic acid,
1027513-91-2,
(3-Chlorophenyl)-difluoroacetic acid,
3-Chloro-alpha,alpha-difluorobenzeneacetic Acid,
AC1Q71RL,
SCHEMBL9315537,
CTK6H2355,
RVWPKAZAYUYMND-UHFFFAOYSA-N,
ZINC20213101,
AKOS008110441,
MCULE-7978426544,
NE55545,
SY038856,
2,2-difluoro-2-(3-chlorophenyl)acetic acid,
EN300-56542,
MFCD11007696 (95%),
Z1259040982,
1150164-78-5,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.573g/mol |
| Monoisotopic Mass | 205.995g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number