| CAS Number | 1242252-59-0 |
| Catalog Number | AG00AFTR |
| Chemical Name | (4-(Difluoromethoxy)-3-fluorophenyl)methanol |
| IUPAC Name | [4-(difluoromethoxy)-3-fluorophenyl]methanol |
| InChI | InChI=1S/C8H7F3O2/c9-6-3-5(4-12)1-2-7(6)13-8(10)11/h1-3,8,12H,4H2 |
| InChI Key | CORPQEYNJLSPOG-UHFFFAOYSA-N |
| MDL Number | MFCD11847154 |
| Molecular Formula | C8H7F3O2 |
| Molecular Weight | 192.1352 |
| SMILES | C1=CC(=C(C=C1CO)F)OC(F)F |
| Synonyms | (4-(DIFLUOROMETHOXY)-3-FLUOROPHENYL)METHANOL,
1242252-59-0,
[4-(difluoromethoxy)-3-fluorophenyl]methanol,
SCHEMBL16953563,
MFCD11847154,
AKOS027291862,
ZINC199523391,
SC-32397,
4-(Difluoromethoxy)-3-fluorobenzyl alcohol,
Z2177153690,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.137g/mol |
| Monoisotopic Mass | 192.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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