| CAS Number | 666752-18-7 |
| Catalog Number | AG00FLCM(AGN-PC-03JA6O) |
| Chemical Name | (5-bromo-3-methyl-1H-indol-2-yl)methanol |
| IUPAC Name | (5-bromo-3-methyl-1H-indol-2-yl)methanol |
| InChI | InChI=1S/C10H10BrNO/c1-6-8-4-7(11)2-3-9(8)12-10(6)5-13/h2-4,12-13H,5H2,1H3 |
| InChI Key | UXXWIWFJZKRNDQ-UHFFFAOYSA-N |
| MDL Number | MFCD00045746 |
| Molecular Formula | C10H10BrNO |
| Molecular Weight | 240.0965 |
| SMILES | N1C2=CC=C(C=C2C(C)=C1CO)Br |
| Synonyms | (5-bromo-3-methyl-1H-indol-2-yl)methanol,
666752-18-7,
SCHEMBL3194846,
CTK5C5038,
DTXSID40621697,
ZX-CM007426,
FCH933405,
MFCD11053994,
STK513742,
ZINC19093298,
AKOS005456139,
MCULE-8266292368,
NCGC00323990-01,
Y-6589,
AB01319218-02,
4031966-25G,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.1g/mol |
| Monoisotopic Mass | 238.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number