| CAS Number | 101975-20-6 |
| Catalog Number | AG0095EM(AGN-PC-0KBOOC) |
| Chemical Name | 1-[4-(Difluoromethoxy)-3-methoxyphenyl]ethan-1-one |
| IUPAC Name | 1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanone |
| InChI | InChI=1S/C10H10F2O3/c1-6(13)7-3-4-8(15-10(11)12)9(5-7)14-2/h3-5,10H,1-2H3 |
| InChI Key | FWNOLCFYMAUUON-UHFFFAOYSA-N |
| MDL Number | MFCD04621491 |
| Molecular Formula | C10H10F2O3 |
| Molecular Weight | 216.1814 |
| SMILES | CC(C1=CC=C(OC(F)F)C(OC)=C1)=O |
| Synonyms | 1-[4-(difluoromethoxy)-3-methoxyphenyl]ethan-1-one,
101975-20-6,
1-(4-Difluoromethoxy-3-methoxy-phenyl)-ethanone,
1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanone,
AC1M11GB,
AC1Q46DD,
SCHEMBL7362278,
CTK6J6962,
ZINC2533928,
SBB021379,
STK349317,
AKOS000306281,
MCULE-3117173868,
NE18396,
EN300-06516,
1-acetyl-4-(difluoromethoxy)-3-methoxybenzene,
SR-01000046931,
SR-01000046931-1,
Z55672073,
ZINC02533928,
CID2060836,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.184g/mol |
| Monoisotopic Mass | 216.06g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number