| CAS Number | 1514825-08-1 |
| Catalog Number | AG01C5PJ |
| Chemical Name | 2,2-difluoro-2-[2-(propan-2-yloxy)phenyl]acetic acid |
| IUPAC Name | 2,2-difluoro-2-(2-propan-2-yloxyphenyl)acetic acid |
| InChI | InChI=1S/C11H12F2O3/c1-7(2)16-9-6-4-3-5-8(9)11(12,13)10(14)15/h3-7H,1-2H3,(H,14,15) |
| InChI Key | YIAOVOKKRKGEEZ-UHFFFAOYSA-N |
| MDL Number | MFCD23895306 |
| Molecular Formula | C11H12F2O3 |
| Molecular Weight | 230.2080 |
| SMILES | O=C(C(F)(C1=C(OC(C)C)C=CC=C1)F)O |
| Synonyms | 2,2-difluoro-2-[2-(propan-2-yloxy)phenyl]acetic acid,
1514825-08-1,
2,2-difluoro-2-(2-isopropoxyphenyl)acetic acid,
SCHEMBL17420685,
YIAOVOKKRKGEEZ-UHFFFAOYSA-N,
ZINC87511590,
AKOS018988092,
A1-10684,
Z2467454527,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.075451g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.21g/mol |
| Monoisotopic Mass | 230.075451g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number