| CAS Number | 21851-78-5 |
| Catalog Number | AG019YV0(AGN-PC-0N3SO3) |
| Chemical Name | 1-(3-Bromopropyl)-2-methylbenzene |
| IUPAC Name | 1-(3-bromopropyl)-2-methylbenzene |
| InChI | InChI=1S/C10H13Br/c1-9-5-2-3-6-10(9)7-4-8-11/h2-3,5-6H,4,7-8H2,1H3 |
| InChI Key | UQWRGHGMXHIGIV-UHFFFAOYSA-N |
| MDL Number | MFCD09744315 |
| Molecular Formula | C10H13Br |
| Molecular Weight | 213.1142 |
| SMILES | CC1=C(CCCBr)C=CC=C1 |
| Synonyms | 1-(3-BROMOPROPYL)-2-METHYLBENZENE,
21851-78-5,
2-(3-Bromopropyl)toluene,
SCHEMBL80278,
UQWRGHGMXHIGIV-UHFFFAOYSA-N,
ZINC49651081,
1-(3-bromo-propyl)-2-methyl-benzene,
AKOS011895051,
NE18321,
Benzene, 1-(3-bromopropyl)-2-methyl-,
1-(3-bromopropyl)-2-methyl-benzene,
CID10398291,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.118g/mol |
| Monoisotopic Mass | 212.02g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number