| CAS Number | 1774830-17-9 |
| Catalog Number | AG01B4VJ |
| Chemical Name | 1-(difluoromethyl)-4-nitro-1H-indole |
| IUPAC Name | 1-(difluoromethyl)-4-nitroindole |
| InChI | InChI=1S/C9H6F2N2O2/c10-9(11)12-5-4-6-7(12)2-1-3-8(6)13(14)15/h1-5,9H |
| InChI Key | UQMCEYWGNCCUAH-UHFFFAOYSA-N |
| MDL Number | MFCD27841913 |
| Molecular Formula | C9H6F2N2O2 |
| Molecular Weight | 212.1529 |
| SMILES | [O-][N+](C1=C2C(N(C(F)F)C=C2)=CC=C1)=O |
| Synonyms | 1-(difluoromethyl)-4-nitro-1H-indole,
1774830-17-9,
SCHEMBL17422039,
AKOS033933914,
ZINC129706634,
Z2512451317,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.156g/mol |
| Monoisotopic Mass | 212.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number