| CAS Number | 1505150-85-5 |
| Catalog Number | AG01B2K4 |
| Chemical Name | 2-Nitro-3-phenoxyaniline |
| IUPAC Name | 2-nitro-3-phenoxyaniline |
| InChI | InChI=1S/C12H10N2O3/c13-10-7-4-8-11(12(10)14(15)16)17-9-5-2-1-3-6-9/h1-8H,13H2 |
| InChI Key | NCYDKALUEOLSFQ-UHFFFAOYSA-N |
| MDL Number | MFCD23018112 |
| Molecular Formula | C12H10N2O3 |
| Molecular Weight | 230.2194 |
| SMILES | NC1=C([N+]([O-])=O)C(OC2=CC=CC=C2)=CC=C1 |
| Synonyms | 2-nitro-3-phenoxyaniline,
1505150-85-5,
SCHEMBL10822131,
ZINC59956605,
AKOS019438091,
Z2492800263,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.223g/mol |
| Monoisotopic Mass | 230.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number