| CAS Number | 15936-76-2 |
| Catalog Number | AG00AP5U |
| Chemical Name | 5-Bromo-7-methyl-1H-indole-2-carboxylic acid |
| IUPAC Name | 5-bromo-7-methyl-1H-indole-2-carboxylic acid |
| InChI | InChI=1S/C10H8BrNO2/c1-5-2-7(11)3-6-4-8(10(13)14)12-9(5)6/h2-4,12H,1H3,(H,13,14) |
| InChI Key | ZHRZIKMCWPHXDK-UHFFFAOYSA-N |
| MDL Number | MFCD02664436 |
| Molecular Formula | C10H8BrNO2 |
| Molecular Weight | 254.0800 |
| SMILES | CC1=C2C(C=C(C(O)=O)N2)=CC(Br)=C1 |
| Synonyms | 5-bromo-7-methyl-1H-indole-2-carboxylic Acid,
15936-76-2,
AC1NFZ2R,
SCHEMBL3031256,
ZINC3748656,
BBL021125,
MFCD02664436,
STK893831,
AKOS001476847,
MCULE-4743057882,
CID4666644,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.083g/mol |
| Monoisotopic Mass | 252.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number