| CAS Number | 99847-70-8 |
| Catalog Number | AG00VRZ3(AGN-PC-0WBQ5S) |
| Chemical Name | 5-Bromo-2-methyl-2,3-dihydro-1H-indole |
| IUPAC Name | 5-bromo-2-methyl-2,3-dihydro-1H-indole |
| InChI | InChI=1S/C9H10BrN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-3,5-6,11H,4H2,1H3 |
| InChI Key | NSBOZWGQLGHLQZ-UHFFFAOYSA-N |
| MDL Number | MFCD08692085 |
| Molecular Formula | C9H10BrN |
| Molecular Weight | 212.0864 |
| SMILES | BrC=1C=C2CC(NC2=CC1)C |
| Synonyms | 5-bromo-2-methyl-2,3-dihydro-1H-indole,
99847-70-8,
F2124-0403,
1H-Indole, 5-bromo-2,3-dihydro-2-methyl-,
5-bromo-2-methyl-indoline,
SCHEMBL1982433,
DTXSID30475181,
NSBOZWGQLGHLQZ-UHFFFAOYSA-N,
AKOS005208498,
MCULE-7866551057,
AN-34467,
847B708,
5-bromo-2-methylindoline,
CID11984030,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.09g/mol |
| Monoisotopic Mass | 211g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number