| CAS Number | 1379352-82-5 |
| Catalog Number | AG00HV57(AGN-PC-0WR3HB) |
| Chemical Name | 4-Bromo-7-chloro-1-methyl-1H-indole |
| IUPAC Name | 4-bromo-7-chloro-1-methylindole |
| InChI | InChI=1S/C9H7BrClN/c1-12-5-4-6-7(10)2-3-8(11)9(6)12/h2-5H,1H3 |
| InChI Key | ZRSONUFNSFDFCU-UHFFFAOYSA-N |
| MDL Number | MFCD08272260 |
| Molecular Formula | C9H7BrClN |
| Molecular Weight | 244.5156 |
| SMILES | CN1C=CC2=C1C(Cl)=CC=C2Br |
| Synonyms | 4-Bromo-7-chloro-1-methyl-1H-indole,
1379352-82-5,
MFCD08272260,
ZINC238550579,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.516g/mol |
| Monoisotopic Mass | 242.945g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 4.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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