| CAS Number | 1261851-55-1 |
| Catalog Number | AG000S2R(AGN-PC-0JK2EV) |
| Chemical Name | 2-(4-(Difluoromethoxy)-3-fluorophenyl)acetic acid |
| IUPAC Name | 2-[4-(difluoromethoxy)-3-fluorophenyl]acetic acid |
| InChI | InChI=1S/C9H7F3O3/c10-6-3-5(4-8(13)14)1-2-7(6)15-9(11)12/h1-3,9H,4H2,(H,13,14) |
| InChI Key | VHFMSYGWFHDRBD-UHFFFAOYSA-N |
| MDL Number | MFCD18395038 |
| Molecular Formula | C9H7F3O3 |
| Molecular Weight | 220.1453 |
| SMILES | OC(CC1=CC(F)=C(OC(F)F)C=C1)=O |
| Synonyms | 1261851-55-1,
4-DIFLUOROMETHOXY-3-FLUOROPHENYLACETIC ACID,
2-(4-(Difluoromethoxy)-3-fluorophenyl)acetic acid,
2-[4-(difluoromethoxy)-3-fluorophenyl]acetic acid,
CL8923,
MFCD18395038,
ZINC91692996,
AKOS027196666,
ACN-052065,
AS-46139,
Benzeneacetic acid, 4-(difluoromethoxy)-3-fluoro-,
Z2235810160,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.147g/mol |
| Monoisotopic Mass | 220.035g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
\N
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
\N
|
|
Precautionary statements
|
P261-P280-P301+P312-P302+P352-P305+P351+P338
|
|
UN Code
|
\N
|
Certificate of Analysis
Lot Number