| CAS Number | 1326714-80-0 |
| Catalog Number | AG0010YQ(AGN-PC-0WG3FK) |
| Chemical Name | 1H-Indole-6-carbonitrile, 3-bromo- |
| IUPAC Name | 3-bromo-1H-indole-6-carbonitrile |
| InChI | InChI=1S/C9H5BrN2/c10-8-5-12-9-3-6(4-11)1-2-7(8)9/h1-3,5,12H |
| InChI Key | OOSWUPGDEJKIDC-UHFFFAOYSA-N |
| MDL Number | MFCD22563272 |
| Molecular Formula | C9H5BrN2 |
| Molecular Weight | 221.0534 |
| SMILES | BrC1=CNC2=CC(=CC=C12)C#N |
| Synonyms | 3-bromo-1H-indole-6-carbonitrile,
1326714-80-0,
1H-Indole-6-carbonitrile, 3-bromo-,
3-Bromo-6-cyanoindole,
SCHEMBL659621,
OOSWUPGDEJKIDC-UHFFFAOYSA-N,
MFCD22563272,
ZINC84326626,
3-BROMO-1H-INDOLE-6-CARBONITRI,
AS-52578,
DA-45999,
CS-0036711,
FT-0722595,
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| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.057g/mol |
| Monoisotopic Mass | 219.964g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 39.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number