| CAS Number | 1261494-95-4 |
| Catalog Number | AG01A72J |
| Chemical Name | 4-Bromo-2-(difluoromethoxy)benzonitrile |
| IUPAC Name | 4-bromo-2-(difluoromethoxy)benzonitrile |
| InChI | InChI=1S/C8H4BrF2NO/c9-6-2-1-5(4-12)7(3-6)13-8(10)11/h1-3,8H |
| InChI Key | LBXXMNAPNXRKPB-UHFFFAOYSA-N |
| MDL Number | MFCD18390880 |
| Molecular Formula | C8H4BrF2NO |
| Molecular Weight | 248.0243 |
| SMILES | FC(OC1=C(C#N)C=CC(Br)=C1)F |
| Synonyms | 4-bromo-2-(difluoromethoxy)benzonitrile,
1261494-95-4,
Benzonitrile,4-bromo-2-(difluoromethoxy)-,
SCHEMBL14225100,
LBXXMNAPNXRKPB-UHFFFAOYSA-N,
ZINC95348381,
AKOS026230356,
FCH1369534,
MCULE-3088509150,
NE40059,
BBV-40245641,
EN300-135317,
Z1664966375,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.027g/mol |
| Monoisotopic Mass | 246.944g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number