| CAS Number | 878259-29-1 |
| Catalog Number | AG00GUET |
| Chemical Name | 1-(Chloromethyl)-4-(difluoromethoxy)-5-methoxy-2-nitrobenzene |
| IUPAC Name | 1-(chloromethyl)-4-(difluoromethoxy)-5-methoxy-2-nitrobenzene |
| InChI | InChI=1S/C9H8ClF2NO4/c1-16-7-2-5(4-10)6(13(14)15)3-8(7)17-9(11)12/h2-3,9H,4H2,1H3 |
| InChI Key | ZELDFVLPXQZRPU-UHFFFAOYSA-N |
| MDL Number | MFCD08246117 |
| Molecular Formula | C9H8ClF2NO4 |
| Molecular Weight | 267.6139 |
| SMILES | COC1=C(OC(F)F)C=C([N+]([O-])=O)C(CCl)=C1 |
| Synonyms | 1-(chloromethyl)-4-(difluoromethoxy)-5-methoxy-2-nitrobenzene,
878259-29-1,
AC1PND9Y,
AC1Q46CV,
CTK6J7739,
ZINC8074979,
AKOS009088009,
MCULE-6604932584,
NE35225,
EN300-24210,
J-503537,
ZINC08074979,
CID9207764,
3-(chloromethyl)-5-phenyl-1,2,4-oxadiazole,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.613g/mol |
| Monoisotopic Mass | 267.011g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number