| CAS Number | 1153353-96-8 |
| Catalog Number | AG01AGVG |
| Chemical Name | N-cyclopentyl-3-nitroaniline |
| IUPAC Name | N-cyclopentyl-3-nitroaniline |
| InChI | InChI=1S/C11H14N2O2/c14-13(15)11-7-3-6-10(8-11)12-9-4-1-2-5-9/h3,6-9,12H,1-2,4-5H2 |
| InChI Key | ZAYNDVNQMDINGS-UHFFFAOYSA-N |
| MDL Number | MFCD12173914 |
| Molecular Formula | C11H14N2O2 |
| Molecular Weight | 206.2411 |
| SMILES | [O-][N+](C1=CC(NC2CCCC2)=CC=C1)=O |
| Synonyms | N-cyclopentyl-3-nitroaniline,
1153353-96-8,
AC1Q1XEK,
ZINC35233284,
AKOS009305538,
MCULE-1503370115,
NE43401,
EN300-72957,
Z641457814,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.245g/mol |
| Monoisotopic Mass | 206.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number