| CAS Number | 18873-97-7 |
| Catalog Number | AG01BADI |
| Chemical Name | 6-bromo-4-methyl-1H-indole-2-carboxylic acid |
| IUPAC Name | 6-bromo-4-methyl-1H-indole-2-carboxylic acid |
| InChI | InChI=1S/C10H8BrNO2/c1-5-2-6(11)3-8-7(5)4-9(12-8)10(13)14/h2-4,12H,1H3,(H,13,14) |
| InChI Key | RLJIIICUHBNIRK-UHFFFAOYSA-N |
| MDL Number | MFCD28680274 |
| Molecular Formula | C10H8BrNO2 |
| Molecular Weight | 254.08 |
| SMILES | CC1=C2C(NC(C(O)=O)=C2)=CC(Br)=C1 |
| Synonyms | 18873-97-7,
6-bromo-4-methyl-1H-indole-2-carboxylic acid,
1H-Indole-2-carboxylic acid, 6-bromo-4-methyl-,
AKOS023652272,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.97384g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.08g/mol |
| Monoisotopic Mass | 252.97384g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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