| CAS Number | 565167-97-7 |
| Catalog Number | AG019GH0 |
| Chemical Name | 2-{[3-(Difluoromethoxy)phenyl]formamido}acetic acid |
| IUPAC Name | 2-[[3-(difluoromethoxy)benzoyl]amino]acetic acid |
| InChI | InChI=1S/C10H9F2NO4/c11-10(12)17-7-3-1-2-6(4-7)9(16)13-5-8(14)15/h1-4,10H,5H2,(H,13,16)(H,14,15) |
| InChI Key | IWXJYMXLBWQGNF-UHFFFAOYSA-N |
| MDL Number | MFCD03970381 |
| Molecular Formula | C10H9F2NO4 |
| Molecular Weight | 245.1796 |
| SMILES | OC(CNC(C1=CC(OC(F)F)=CC=C1)=O)=O |
| Synonyms | 2-{[3-(difluoromethoxy)phenyl]formamido}acetic acid,
565167-97-7,
EN300-00182,
SR-01000040677,
SR-01000040677-1,
Z56896203,
CID2404803,
(3-Difluoromethoxy-benzoylamino)-acetic acid,
AC1M6SUE,
AC1Q75YU,
2-[[3-(difluoromethoxy)benzoyl]amino]acetic Acid,
CTK7J5220,
ZINC3289283,
AKOS000114587,
MCULE-9188718874,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.182g/mol |
| Monoisotopic Mass | 245.05g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number