| CAS Number | 1017782-97-6 |
| Catalog Number | AG00IXH4(AGN-PC-0WB2D8) |
| Chemical Name | 3-methoxy-N-methyl-4-nitroaniline |
| IUPAC Name | 3-methoxy-N-methyl-4-nitroaniline |
| InChI | InChI=1S/C8H10N2O3/c1-9-6-3-4-7(10(11)12)8(5-6)13-2/h3-5,9H,1-2H3 |
| InChI Key | AENGNOMTDAOEGY-UHFFFAOYSA-N |
| MDL Number | MFCD09972263 |
| Molecular Formula | C8H10N2O3 |
| Molecular Weight | 182.1766 |
| SMILES | N(C)C1C=CC([N+]([O-])=O)=C(OC)C=1 |
| Synonyms | 3-methoxy-N-methyl-4-nitroaniline,
1017782-97-6,
SCHEMBL520467,
CTK6J8784,
KS-000029OQ,
MFCD09972263,
SBB089884,
ZINC14007526,
(3-methoxy-4-nitrophenyl)methylamine,
AKOS005073698,
MCULE-3939479254,
NB-0705,
RP10940,
AJ-64642,
TR-065320,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.179g/mol |
| Monoisotopic Mass | 182.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number