| CAS Number | 302806-11-7 |
| Catalog Number | AG019P2Z |
| Chemical Name | 2-{[2-(difluoromethoxy)phenyl]formamido}acetic acid |
| IUPAC Name | 2-[[2-(difluoromethoxy)benzoyl]amino]acetic acid |
| InChI | InChI=1S/C10H9F2NO4/c11-10(12)17-7-4-2-1-3-6(7)9(16)13-5-8(14)15/h1-4,10H,5H2,(H,13,16)(H,14,15) |
| InChI Key | IXIDDWPLZUIVEX-UHFFFAOYSA-N |
| MDL Number | MFCD02166057 |
| Molecular Formula | C10H9F2NO4 |
| Molecular Weight | 245.1796 |
| SMILES | OC(CNC(C1=C(OC(F)F)C=CC=C1)=O)=O |
| Synonyms | 2-{[2-(difluoromethoxy)phenyl]formamido}acetic acid,
302806-11-7,
AC1LEWOK,
2-[[2-(difluoromethoxy)benzoyl]amino]acetic Acid,
HMS1789C10,
ZINC119255,
AKOS000198760,
MCULE-6943283592,
NE18611,
SR-01000062983,
SR-01000062983-1,
Z57980316,
CID719220,
|
| 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 | 1.7 |
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Certificate of Analysis
Lot Number