| CAS Number | 1857296-39-9 |
| Catalog Number | AG00ILX7(AGN-PC-0WRAGN) |
| Chemical Name | Methyl 5-bromo-4-methyl-1H-indole-2-carboxylate |
| IUPAC Name | methyl 5-bromo-4-methyl-1H-indole-2-carboxylate |
| InChI | InChI=1S/C11H10BrNO2/c1-6-7-5-10(11(14)15-2)13-9(7)4-3-8(6)12/h3-5,13H,1-2H3 |
| InChI Key | PARDMGFWAOBPHH-UHFFFAOYSA-N |
| MDL Number | MFCD29035115 |
| Molecular Formula | C11H10BrNO2 |
| Molecular Weight | 268.1066 |
| SMILES | BrC=1C(=C2C=C(NC2=CC1)C(=O)OC)C |
| Synonyms | Methyl 5-bromo-4-methyl-1H-indole-2-carboxylate,
1857296-39-9,
SCHEMBL16149603,
PARDMGFWAOBPHH-UHFFFAOYSA-N,
AKOS027329067,
CS-15484,
CS-0039196,
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| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.11g/mol |
| Monoisotopic Mass | 266.989g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.1A^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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