| CAS Number | 680569-18-0 |
| Catalog Number | AG00FFTU(AGN-PC-0LH59T) |
| Chemical Name | Methyl 6-bromo-1-methyl-1H-indole-2-carboxylate |
| IUPAC Name | methyl 6-bromo-1-methylindole-2-carboxylate |
| InChI | InChI=1S/C11H10BrNO2/c1-13-9-6-8(12)4-3-7(9)5-10(13)11(14)15-2/h3-6H,1-2H3 |
| InChI Key | RCDWEKOOOHATJC-UHFFFAOYSA-N |
| MDL Number | MFCD07364734 |
| Molecular Formula | C11H10BrNO2 |
| Molecular Weight | 268.1066 |
| SMILES | BrC1=CC=C2C=C(N(C2=C1)C)C(=O)OC |
| Synonyms | 680569-18-0,
METHYL 6-BROMO-1-METHYL-1H-INDOLE-2-CARBOXYLATE,
6-Bromo-1-methyl-1H-indole-2-carboxylic acid methyl ester,
methyl 6-bromo-1-methylindole-2-carboxylate,
SCHEMBL2082374,
RCDWEKOOOHATJC-UHFFFAOYSA-N,
1H-Indole-2-carboxylic acid, 6-bromo-1-methyl-, methyl ester,
ZINC8417049,
8022AE,
KM1172,
MFCD07364734,
AKOS004119402,
AS-67825,
Methyl 6-broMo-1-Methylindole-2-carboxylate, 97%,
AC1NGPBE,
C11H10BrNO2,
CID4777911,
Methyl 6-bromo-1-methyl-indole-2-carboxylate,
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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 | 266.98949g/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 | 266.98949g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 31.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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