| CAS Number | 68837-96-7 |
| Catalog Number | AG00FLU0(AGN-PC-03JODJ) |
| Chemical Name | 4-(Chloromethyl)-2-methoxy-1-nitrobenzene |
| IUPAC Name | 4-(chloromethyl)-2-methoxy-1-nitrobenzene |
| InChI | InChI=1S/C8H8ClNO3/c1-13-8-4-6(5-9)2-3-7(8)10(11)12/h2-4H,5H2,1H3 |
| InChI Key | YPGTXBMNSXUGTA-UHFFFAOYSA-N |
| MDL Number | MFCD09745030 |
| Molecular Formula | C8H8ClNO3 |
| Molecular Weight | 201.6070 |
| SMILES | COC1=C([N+]([O-])=O)C=CC(CCl)=C1 |
| Synonyms | 4-(CHLOROMETHYL)-2-METHOXY-1-NITROBENZENE,
68837-96-7,
3-methoxy-4-nitrobenzyl chloride,
SCHEMBL2036815,
3-methoxy-4-nitrobenzylchloride,
DTXSID40622028,
YPGTXBMNSXUGTA-UHFFFAOYSA-N,
ZINC50518051,
AKOS011395025,
NE48044,
SC-40932,
FT-0751365,
Benzene, 4-(chloromethyl)-2-methoxy-1-nitro-,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.606g/mol |
| Monoisotopic Mass | 201.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number