| CAS Number | 1303889-62-4 |
| Catalog Number | AG01AGLJ |
| Chemical Name | 1-(2,2-Dimethoxyethyl)-3-fluorobenzene |
| IUPAC Name | 1-(2,2-dimethoxyethyl)-3-fluorobenzene |
| InChI | InChI=1S/C10H13FO2/c1-12-10(13-2)7-8-4-3-5-9(11)6-8/h3-6,10H,7H2,1-2H3 |
| InChI Key | XOMPIQPODVNMEY-UHFFFAOYSA-N |
| MDL Number | MFCD18089470 |
| Molecular Formula | C10H13FO2 |
| Molecular Weight | 184.2074 |
| SMILES | COC(OC)CC1=CC(F)=CC=C1 |
| Synonyms | 1-(2,2-dimethoxyethyl)-3-fluorobenzene,
1303889-62-4,
AC1Q44FR,
ZINC58038029,
AKOS033189190,
MCULE-6010146106,
NE52720,
EN300-72202,
Z1245735230,
|
| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.21g/mol |
| Monoisotopic Mass | 184.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number