| CAS Number | 951626-33-8 |
| Catalog Number | AG00J8KA(AGN-PC-0WBKEH) |
| Chemical Name | (6-Bromo-1h-indol-1-yl)acetic acid |
| IUPAC Name | 2-(6-bromoindol-1-yl)acetic acid |
| InChI | InChI=1S/C10H8BrNO2/c11-8-2-1-7-3-4-12(6-10(13)14)9(7)5-8/h1-5H,6H2,(H,13,14) |
| InChI Key | NOIOSYLYPIQYRT-UHFFFAOYSA-N |
| MDL Number | MFCD09853196 |
| Molecular Formula | C10H8BrNO2 |
| Molecular Weight | 254.0800 |
| SMILES | BrC1=CC=C2C=CN(C2=C1)CC(=O)O |
| Synonyms | (6-bromo-1H-indol-1-yl)acetic acid,
951626-33-8,
2-(6-Bromo-1H-indol-1-yl)acetic acid,
MFCD09853196,
(6-bromoindol-1-yl)acetic acid,
ALBB-015606,
BBL010427,
STK801601,
ZINC11731173,
1H-indole-1-acetic acid, 6-bromo-,
AKOS004938923,
MCULE-4557408626,
NS-03824,
Z2216795654,
(6-bromo-1H-indol-1-yl)aceticacid,
T1020,
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| Complexity | 234 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.083g/mol |
| Monoisotopic Mass | 252.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number