| CAS Number | 145742-63-8 |
| Catalog Number | AG019XRY(AGN-PC-0JV13U) |
| Chemical Name | 2-(Difluoromethoxy)-5-nitrobenzaldehyde |
| IUPAC Name | 2-(difluoromethoxy)-5-nitrobenzaldehyde |
| InChI | InChI=1S/C8H5F2NO4/c9-8(10)15-7-2-1-6(11(13)14)3-5(7)4-12/h1-4,8H |
| InChI Key | YERTUMJMWKSDIU-UHFFFAOYSA-N |
| MDL Number | MFCD00521794 |
| Molecular Formula | C8H5F2NO4 |
| Molecular Weight | 217.1264 |
| SMILES | [O-][N+](C1=CC(C=O)=C(OC(F)F)C=C1)=O |
| Synonyms | 2-(difluoromethoxy)-5-nitrobenzaldehyde,
145742-63-8,
AC1LEVZW,
AC1Q1XAO,
SCHEMBL8173204,
CTK7H8747,
ZINC65171,
BBL028736,
MFCD00521794,
SBB016162,
STL339759,
AKOS000273254,
MCULE-2070201947,
NE11568,
ZB002499,
Benzaldehyde, 2-(difluoromethoxy)-5-nitro-,
ST50206909,
EN300-55904,
CID693286,
ZINC00065171,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.128g/mol |
| Monoisotopic Mass | 217.019g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number