| CAS Number | 937621-97-1 |
| Catalog Number | AG00IHTM(AGN-PC-0WBKEI) |
| Chemical Name | (5-Bromo-1h-indol-1-yl)acetic acid |
| IUPAC Name | 2-(5-bromoindol-1-yl)acetic acid |
| InChI | InChI=1S/C10H8BrNO2/c11-8-1-2-9-7(5-8)3-4-12(9)6-10(13)14/h1-5H,6H2,(H,13,14) |
| InChI Key | RVDSTBFKTGJQCS-UHFFFAOYSA-N |
| MDL Number | MFCD09476492 |
| Molecular Formula | C10H8BrNO2 |
| Molecular Weight | 254.0800 |
| SMILES | OC(CN1C2=C(C=C(C=C2)Br)C=C1)=O |
| Synonyms | (5-bromo-1H-indol-1-yl)acetic acid,
937621-97-1,
2-(5-bromo-1H-indol-1-yl)acetic acid,
2-(5-bromoindolyl)acetic acid,
SCHEMBL418013,
(5-bromoindol-1-yl)acetic acid,
BBL012579,
MFCD09476492,
SBB018783,
STK320526,
ZINC11731174,
AKOS000103762,
MCULE-1184388743,
ST4145690,
F8888-6041,
Z2216976676,
2-(5-bromoindol-1-yl)acetic acid,
|
| 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
Certificate of Analysis
Lot Number