| CAS Number | 103324-39-6 |
| Catalog Number | AG01A54J |
| Chemical Name | 1-(3-Bromopropyl)-3-methylbenzene |
| IUPAC Name | 1-(3-bromopropyl)-3-methylbenzene |
| InChI | InChI=1S/C10H13Br/c1-9-4-2-5-10(8-9)6-3-7-11/h2,4-5,8H,3,6-7H2,1H3 |
| InChI Key | SATMXWWRNVMPEN-UHFFFAOYSA-N |
| MDL Number | MFCD09744407 |
| Molecular Formula | C10H13Br |
| Molecular Weight | 213.1142 |
| SMILES | CC1=CC(CCCBr)=CC=C1 |
| Synonyms | 1-(3-BROMOPROPYL)-3-METHYLBENZENE,
103324-39-6,
3-(3-Bromopropyl)toluene,
SCHEMBL81076,
SATMXWWRNVMPEN-UHFFFAOYSA-N,
ZINC49651083,
AKOS011895050,
1-(3-Bromo-propyl)-3-methyl-benzene,
NE14399,
Benzene, 1-(3-bromopropyl)-3-methyl-,
|
| 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 |
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Certificate of Analysis
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