| CAS Number | 1195619-32-9 |
| Catalog Number | AG01BK6I |
| Chemical Name | 3-Nitro-4-(propan-2-yl)-1H-pyrrole |
| IUPAC Name | 3-nitro-4-propan-2-yl-1H-pyrrole |
| InChI | InChI=1S/C7H10N2O2/c1-5(2)6-3-8-4-7(6)9(10)11/h3-5,8H,1-2H3 |
| InChI Key | UUZXWBHCTVLAON-UHFFFAOYSA-N |
| MDL Number | MFCD28666876 |
| Molecular Formula | C7H10N2O2 |
| Molecular Weight | 154.1665 |
| SMILES | CC(C1C([N+]([O-])=O)=CNC=1)C |
| Synonyms | 3-nitro-4-(propan-2-yl)-1H-pyrrole,
1195619-32-9,
1H-Pyrrole, 3-(1-methylethyl)-4-nitro-,
AKOS034070588,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.169g/mol |
| Monoisotopic Mass | 154.074g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number