| CAS Number | 66684-63-7 |
| Catalog Number | AG00FHOS(AGN-PC-03EMMG) |
| Chemical Name | 1,4-Difluoro-2-methoxy-5-nitrobenzene |
| IUPAC Name | 1,4-difluoro-2-methoxy-5-nitrobenzene |
| InChI | InChI=1S/C7H5F2NO3/c1-13-7-3-4(8)6(10(11)12)2-5(7)9/h2-3H,1H3 |
| InChI Key | OEODGYCZRSHEBE-UHFFFAOYSA-N |
| MDL Number | MFCD22200174 |
| Molecular Formula | C7H5F2NO3 |
| Molecular Weight | 189.1163 |
| SMILES | COC1=C(F)C=C([N+]([O-])=O)C(F)=C1 |
| Synonyms | 1,4-difluoro-2-methoxy-5-nitrobenzene,
66684-63-7,
1,4-Difluoro-2-methoxy-5-nitro-benzene,
SCHEMBL4279356,
CTK1J4415,
DTXSID30617488,
OEODGYCZRSHEBE-UHFFFAOYSA-N,
ZINC75789539,
NE29426,
SC-47666,
Benzene, 1,4-difluoro-2-methoxy-5-nitro-,
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| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.118g/mol |
| Monoisotopic Mass | 189.024g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number