| CAS Number | 19614-14-3 |
| Catalog Number | AG01A1S3(AGN-PC-0NKV1Z) |
| Chemical Name | 1-Bromo-2-propylbenzene |
| IUPAC Name | 1-bromo-2-propylbenzene |
| InChI | InChI=1S/C9H11Br/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5H2,1H3 |
| InChI Key | SRXJZMLETPOSSJ-UHFFFAOYSA-N |
| MDL Number | MFCD28361827 |
| Molecular Formula | C9H11Br |
| Molecular Weight | 199.0876 |
| SMILES | CCCC1=C(Br)C=CC=C1 |
| Synonyms | 1-bromo-2-propylbenzene,
19614-14-3,
2-propylbromobenzene,
1-Propyl-2-bromobenzene,
SCHEMBL466413,
SRXJZMLETPOSSJ-UHFFFAOYSA-N,
ZINC59290354,
AKOS033816244,
Z2235409402,
|
| Complexity | 90.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.091g/mol |
| Monoisotopic Mass | 198.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number