| CAS Number | 1027513-97-8 |
| Catalog Number | AG008TOH(AGN-PC-0WNGCA) |
| Chemical Name | α,α-Difluoro-4-methoxybenzeneacetic acid |
| IUPAC Name | 2,2-difluoro-2-(4-methoxyphenyl)acetic acid |
| InChI | InChI=1S/C9H8F2O3/c1-14-7-4-2-6(3-5-7)9(10,11)8(12)13/h2-5H,1H3,(H,12,13) |
| InChI Key | AVTZQAFEAUPCKL-UHFFFAOYSA-N |
| MDL Number | MFCD11007700 |
| Molecular Formula | C9H8F2O3 |
| Molecular Weight | 202.1548 |
| SMILES | O=C(O)C(F)(F)C1=CC=C(OC)C=C1 |
| Synonyms | 2,2-difluoro-2-(4-methoxyphenyl)acetic acid,
1027513-97-8,
alpha,alpha-Difluoro-2-(4-methoxyphenyl)acetic Acid,
SCHEMBL17420611,
CTK7A2102,
AVTZQAFEAUPCKL-UHFFFAOYSA-N,
CS-B1112,
MFCD11007700,
ZINC20213089,
AKOS009222144,
AB62671,
NE25587,
AC-29771,
CS-12156,
SY038857,
DIFLUORO-(4-METHOXYPHENYL)ACETIC ACID,
MFCD11007700 (95%),
|
| Complexity | 210 |
| 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