| CAS Number | 1700081-44-2 |
| Catalog Number | AG01C3G4 |
| Chemical Name | 1-(difluoromethyl)-1H-indole-4-carbonitrile |
| IUPAC Name | 1-(difluoromethyl)indole-4-carbonitrile |
| InChI | InChI=1S/C10H6F2N2/c11-10(12)14-5-4-8-7(6-13)2-1-3-9(8)14/h1-5,10H |
| InChI Key | ZIAMULGPMWDZHX-UHFFFAOYSA-N |
| MDL Number | MFCD29060444 |
| Molecular Formula | C10H6F2N2 |
| Molecular Weight | 192.1648 |
| SMILES | FC(N1C=CC=2C(=CC=CC12)C#N)F |
| Synonyms | 1-(difluoromethyl)-1H-indole-4-carbonitrile,
1700081-44-2,
MFCD29060444,
ZINC236138249,
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| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.169g/mol |
| Monoisotopic Mass | 192.05g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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