| CAS Number | 1262860-72-9 |
| Catalog Number | AG000SHK(AGN-PC-0H2MNF) |
| Chemical Name | 3-CHLORO-5-(DIFLUOROMETHOXY)PICOLINIC ACID |
| IUPAC Name | 3-chloro-5-(difluoromethoxy)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C7H4ClF2NO3/c8-4-1-3(14-7(9)10)2-11-5(4)6(12)13/h1-2,7H,(H,12,13) |
| InChI Key | OBWSTQFVHUFLIY-UHFFFAOYSA-N |
| MDL Number | MFCD24387271 |
| Molecular Formula | C7H4ClF2NO3 |
| Molecular Weight | 223.5614 |
| SMILES | O=C(O)C1=NC=C(OC(F)F)C=C1Cl |
| Synonyms | 3-Chloro-5-(difluoromethoxy)picolinic acid,
1262860-72-9,
3-Chloro-5-difluoroMethoxy-pyridine-2-carboxylic acid,
3-chloro-5-(difluoromethoxy)pyridine-2-carboxylic acid,
SCHEMBL362634,
OBWSTQFVHUFLIY-UHFFFAOYSA-N,
KS-000000TQ,
MFCD24387271,
ZINC98180030,
AKOS024258745,
FCH2339859,
AK151995,
AJ-141136,
CS-0060272,
2-Pyridinecarboxylicacid,3-chloro-5-(difluoromethoxy)-,
2-Pyridinecarboxylic acid, 3-chloro-5-(difluoromethoxy)-,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.56g/mol |
| Monoisotopic Mass | 222.985g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H332-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P280-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number