| CAS Number | 1090903-89-1 |
| Catalog Number | AG00HBAG(AGN-PC-0WBSJK) |
| Chemical Name | methyl 6-bromo-1-methyl-indole-4-carboxylate |
| IUPAC Name | methyl 6-bromo-1-methylindole-4-carboxylate |
| InChI | InChI=1S/C11H10BrNO2/c1-13-4-3-8-9(11(14)15-2)5-7(12)6-10(8)13/h3-6H,1-2H3 |
| InChI Key | XKKFXYZBTHKXGB-UHFFFAOYSA-N |
| MDL Number | MFCD28641837 |
| Molecular Formula | C11H10BrNO2 |
| Molecular Weight | 268.1066 |
| SMILES | BrC=1C=C(C=2C=CN(C2C1)C)C(=O)OC |
| Synonyms | Methyl 6-bromo-1-methyl-1H-indole-4-carboxylate,
1090903-89-1,
Methyl 6-bromo-1-methyl-indole-4-carboxylate,
SCHEMBL8123451,
KS-000005BV,
MFCD28641837,
AKOS023808236,
ZINC146057603,
AK173652,
AS-52700,
CS-0048946,
methyl 6-bromo-1-methylindole-4-carboxylate,
methyl 6bromo1methyl1Hindole4carboxylate,
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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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.11g/mol |
| Monoisotopic Mass | 266.989g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 31.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number