| CAS Number | 54540-53-3 |
| Catalog Number | AG01A5XS(AGN-PC-000CL8) |
| Chemical Name | 1-(3-Bromopropyl)-4-methylbenzene |
| IUPAC Name | 1-(3-bromopropyl)-4-methylbenzene |
| InChI | InChI=1S/C10H13Br/c1-9-4-6-10(7-5-9)3-2-8-11/h4-7H,2-3,8H2,1H3 |
| InChI Key | XXRBJMPVYKNDPG-UHFFFAOYSA-N |
| MDL Number | MFCD09744344 |
| Molecular Formula | C10H13Br |
| Molecular Weight | 213.1142 |
| SMILES | CC1=CC=C(C=C1)CCCBr |
| Synonyms | 1-(3-BROMOPROPYL)-4-METHYLBENZENE,
54540-53-3,
1-(3-Bromo-propyl)-4-methyl-benzene,
Benzene, 1-(3-bromopropyl)-4-methyl-,
4-(3-Bromopropyl)toluene,
SCHEMBL79346,
3-(4-methylphenyl)propyl bromide,
XXRBJMPVYKNDPG-UHFFFAOYSA-N,
ZINC49651085,
AKOS011898139,
NE33285,
|
| Complexity | 93 |
| 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 |
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Certificate of Analysis
Lot Number