| CAS Number | 914636-97-8 |
| Catalog Number | AG00GRYL(AGN-PC-0WD2QZ) |
| Chemical Name | 3-Methoxy-4-nitrobenzotrifluoride |
| IUPAC Name | 2-methoxy-1-nitro-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H6F3NO3/c1-15-7-4-5(8(9,10)11)2-3-6(7)12(13)14/h2-4H,1H3 |
| InChI Key | KNGJUZQUCHGDDY-UHFFFAOYSA-N |
| MDL Number | MFCD08532460 |
| Molecular Formula | C8H6F3NO3 |
| Molecular Weight | 221.1333 |
| SMILES | FC(C1=CC=C([N+]([O-])=O)C(OC)=C1)(F)F |
| Synonyms | 2-methoxy-1-nitro-4-(trifluoromethyl)benzene,
914636-97-8,
3-Methoxy-4-nitrobenzotrifluoride,
PubChem13495,
DTXSID70650475,
2-Nitro-5-(trifluoromethyl)anisole,
ZX-AP010707,
1759AJ,
MFCD08532460,
SBB096092,
ZINC16159248,
AKOS022171834,
AJ-68644,
BC653659,
DA-01275,
AX8258089,
2-Methoxy-1-nitro-4-trifluoromethyl-benzene,
FT-0725950,
A843937,
C8H6F3NO3,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.135g/mol |
| Monoisotopic Mass | 221.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number