| CAS Number | 119999-25-6 |
| Catalog Number | AG00948E |
| Chemical Name | 5-Bromo-1-methyl-3H-indene |
| IUPAC Name | 6-bromo-3-methyl-1H-indene |
| InChI | InChI=1S/C10H9Br/c1-7-2-3-8-6-9(11)4-5-10(7)8/h2,4-6H,3H2,1H3 |
| InChI Key | NOFYPTDQPJCKRF-UHFFFAOYSA-N |
| MDL Number | MFCD20528896 |
| Molecular Formula | C10H9Br |
| Molecular Weight | 209.0825 |
| SMILES | Brc1ccc2c(c1)CC=C2C |
| Synonyms | 5-Bromo-1-methyl-3H-indene,
119999-25-6,
1H-INDENE, 6-BROMO-3-METHYL-,
SCHEMBL2963487,
ZINC95218058,
Z8184,
K-1415,
C10H9Br,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.086g/mol |
| Monoisotopic Mass | 207.989g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number