| CAS Number | 1583272-35-8 |
| Catalog Number | AG001Q3V(AGN-PC-0WCXNP) |
| Chemical Name | Methyl 6-bromo-3-Methyl-1H-indole-4-carboxylate |
| IUPAC Name | methyl 6-bromo-3-methyl-1H-indole-4-carboxylate |
| InChI | InChI=1S/C11H10BrNO2/c1-6-5-13-9-4-7(12)3-8(10(6)9)11(14)15-2/h3-5,13H,1-2H3 |
| InChI Key | PNLGPLIMVBBGDD-UHFFFAOYSA-N |
| MDL Number | MFCD27952312 |
| Molecular Formula | C11H10BrNO2 |
| Molecular Weight | 268.1066 |
| SMILES | COC(=O)c1cc(Br)cc2[nH]cc(C)c12 |
| Synonyms | Methyl 6-bromo-3-methyl-1H-indole-4-carboxylate,
1583272-35-8,
SCHEMBL20111796,
MFCD27952312,
ZINC238340173,
AK173789,
AS-52705,
CS-0048938,
KS-00000556,
1H-Indole-4-carboxylic acid, 6-bromo-3-methyl-, methyl ester,
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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 |
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Certificate of Analysis
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