| CAS Number | 53590-41-3 |
| Catalog Number | AG019U0S(AGN-PC-0WO6MP) |
| Chemical Name | (4-chloro-1H-indol-2-yl)methanol |
| IUPAC Name | (4-chloro-1H-indol-2-yl)methanol |
| InChI | InChI=1S/C9H8ClNO/c10-8-2-1-3-9-7(8)4-6(5-12)11-9/h1-4,11-12H,5H2 |
| InChI Key | JZKSAKQPFWXXKS-UHFFFAOYSA-N |
| MDL Number | MFCD19301592 |
| Molecular Formula | C9H8ClNO |
| Molecular Weight | 181.6189 |
| SMILES | OCC(N1)=CC2=C1C=CC=C2Cl |
| Synonyms | (4-chloro-1H-indol-2-yl)methanol,
53590-41-3,
1H-Indole-2-methanol, 4-chloro-,
SCHEMBL4561870,
ZINC37632805,
AKOS022505411,
MCULE-3972158143,
NE23597,
Z1342879024,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.619g/mol |
| Monoisotopic Mass | 181.029g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number