| CAS Number | 1427412-95-0 |
| Catalog Number | AG00HWLC(AGN-PC-0WD6Z4) |
| Chemical Name | 5-bromo-4-methyl-1H-indole |
| IUPAC Name | 5-bromo-4-methyl-1H-indole |
| InChI | InChI=1S/C9H8BrN/c1-6-7-4-5-11-9(7)3-2-8(6)10/h2-5,11H,1H3 |
| InChI Key | CEJDMMBUVBNTEM-UHFFFAOYSA-N |
| MDL Number | MFCD23704696 |
| Molecular Formula | C9H8BrN |
| Molecular Weight | 210.0705 |
| SMILES | CC1=C(Br)C=CC2=C1C=CN2 |
| Synonyms | 5-bromo-4-methyl-1H-indole,
1427412-95-0,
SCHEMBL8995172,
5-BROMO-4-METHYLINDOLE,
MFCD23704696,
ZINC96379093,
AKOS023635567,
KS-000005D0,
AS-53135,
DB-064283,
CS-0034968,
15936-81-9,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.074g/mol |
| Monoisotopic Mass | 208.984g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 15.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number