| CAS Number | 15936-75-1 |
| Catalog Number | AG001QMS(AGN-PC-0L3ZHV) |
| Chemical Name | 7-Bromo-5-methyl-1h-indole-2-carboxylic acid |
| IUPAC Name | 7-bromo-5-methyl-1H-indole-2-carboxylic acid |
| InChI | InChI=1S/C10H8BrNO2/c1-5-2-6-4-8(10(13)14)12-9(6)7(11)3-5/h2-4,12H,1H3,(H,13,14) |
| InChI Key | FEKBHGAFULIULQ-UHFFFAOYSA-N |
| MDL Number | MFCD02664426 |
| Molecular Formula | C10H8BrNO2 |
| Molecular Weight | 254.0800 |
| SMILES | BrC=1C=C(C=C2C=C(NC12)C(=O)O)C |
| Synonyms | 7-bromo-5-methyl-1H-indole-2-carboxylic Acid,
15936-75-1,
AC1N2K6M,
SCHEMBL3708783,
ICA-0012,
ZINC3748650,
ZX-BK002519,
BBL021768,
MFCD02664426,
STK894485,
AKOS005144098,
FCH1334295,
MCULE-8959238183,
H8177,
V3583,
1H-Indole-2-carboxylic acid, 7-bromo-5-methyl-,
C10H8BrNO2,
CID4023176,
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| 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
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Certificate of Analysis
Lot Number