| CAS Number | 1820686-50-7 |
| Catalog Number | AG00I0V2 |
| Chemical Name | 3-Bromo-5-nitro-4-(propylamino)benzonitrile |
| IUPAC Name | 3-bromo-5-nitro-4-(propylamino)benzonitrile |
| InChI | InChI=1S/C10H10BrN3O2/c1-2-3-13-10-8(11)4-7(6-12)5-9(10)14(15)16/h4-5,13H,2-3H2,1H3 |
| InChI Key | WXQUNOVYGOXVIR-UHFFFAOYSA-N |
| MDL Number | MFCD26383429 |
| Molecular Formula | C10H10BrN3O2 |
| Molecular Weight | 284.1093 |
| SMILES | CCCNc1c(Br)cc(cc1[N+](=O)[O-])C#N |
| Synonyms | 3-BROMO-5-NITRO-4-(PROPYLAMINO)BENZONITRILE,
1820686-50-7,
KM5694,
ZINC95496042,
Y2489,
C10H10BrN3O2,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.113g/mol |
| Monoisotopic Mass | 282.996g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number