| CAS Number | 3874-31-5 |
| Catalog Number | AG00CHOZ |
| Chemical Name | 1-(2,5-Difluorophenyl)ethan-1-ol |
| IUPAC Name | 1-(2,5-difluorophenyl)ethanol |
| InChI | InChI=1S/C8H8F2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-5,11H,1H3 |
| InChI Key | RCPAVJXGLFKACE-UHFFFAOYSA-N |
| MDL Number | MFCD08442989 |
| Molecular Formula | C8H8F2O |
| Molecular Weight | 158.1453 |
| SMILES | FC1=C(C=C(C=C1)F)C(C)O |
| Synonyms | 1-(2,5-difluorophenyl)ethanol,
1-(2,5-difluorophenyl)ethan-1-ol,
3874-31-5,
AC1Q2BS4,
SCHEMBL265533,
CTK7B8645,
AKOS000126034,
AKOS022272135,
MCULE-3803451748,
NE31401,
EN300-40005,
Z228586372,
(1R)-1-(2,5-difluorophenyl)ethan-1-ol,
(1S)-1-(2,5-difluorophenyl)ethan-1-ol,
126534-36-9,
126534-37-0,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.148g/mol |
| Monoisotopic Mass | 158.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number