| CAS Number | 1250773-62-6 |
| Catalog Number | AG00HHW3(AGN-PC-0WNGCB) |
| Chemical Name | 2,2-Difluoro-2-(2-methoxyphenyl)aceticAcid |
| IUPAC Name | 2,2-difluoro-2-(2-methoxyphenyl)acetic acid |
| InChI | InChI=1S/C9H8F2O3/c1-14-7-5-3-2-4-6(7)9(10,11)8(12)13/h2-5H,1H3,(H,12,13) |
| InChI Key | ULFXSWWASZBBPE-UHFFFAOYSA-N |
| MDL Number | MFCD16748867 |
| Molecular Formula | C9H8F2O3 |
| Molecular Weight | 202.1548 |
| SMILES | COC1=CC=CC=C1C(C(=O)O)(F)F |
| Synonyms | 2,2-difluoro-2-(2-methoxyphenyl)acetic acid,
1250773-62-6,
SCHEMBL17420695,
ULFXSWWASZBBPE-UHFFFAOYSA-N,
MFCD16748867,
ZINC52232612,
AKOS011682684,
AC-29773,
CS-12162,
SY038885,
2,2-Difluoro-2-(2-methoxyphenyl)aceticAcid,
MFCD16748867 (95%),
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.157g/mol |
| Monoisotopic Mass | 202.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number