| CAS Number | 71987-66-1 |
| Catalog Number | AG019MRT(AGN-PC-0WOT74) |
| Chemical Name | 2-(5-Bromo-2-methyl-1H-indol-3-yl)acetic acid |
| IUPAC Name | 2-(5-bromo-2-methyl-1H-indol-3-yl)acetic acid |
| InChI | InChI=1S/C11H10BrNO2/c1-6-8(5-11(14)15)9-4-7(12)2-3-10(9)13-6/h2-4,13H,5H2,1H3,(H,14,15) |
| InChI Key | GYMIIVHLZZZWAD-UHFFFAOYSA-N |
| MDL Number | MFCD02664386 |
| Molecular Formula | C11H10BrNO2 |
| Molecular Weight | 268.1066 |
| SMILES | O=C(O)CC1=C(C)NC2=C1C=C(Br)C=C2 |
| Synonyms | 2-(5-bromo-2-methyl-1H-indol-3-yl)acetic Acid,
(5-bromo-2-methyl-1H-indol-3-yl)acetic acid,
71987-66-1,
AC1Q2EZG,
AC1N0J2R,
SCHEMBL11338372,
CTK6B3599,
ZINC3748627,
BBL012147,
MFCD02664386,
STK731589,
AKOS000283164,
MCULE-4949681845,
NE59352,
BB 0248920,
EN300-37087,
(5-Bromo-2-methyl-1H-indol-3-yl)-acetic acid,
AQ-086/43457610,
F1984-0289,
CID3963665,
|
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.11g/mol |
| Monoisotopic Mass | 266.989g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number