2-Bromo-1,3-dimethoxy-5-pentylbenzene - CAS 82078-06-6
Catalog: |
BB072860 |
Product Name: |
2-Bromo-1,3-dimethoxy-5-pentylbenzene |
CAS: |
82078-06-6 |
Synonyms: |
2-Bromo-1,3-dimethoxy-5-pentylbenzene |
IUPAC Name: | 2-bromo-1,3-dimethoxy-5-pentylbenzene |
Molecular Weight: | 287.2 |
Molecular Formula: | C13H19BrO2 |
Canonical SMILES: | CCCCCC1=CC(=C(C(=C1)OC)Br)OC |
InChI: | InChI=1S/C13H19BrO2/c1-4-5-6-7-10-8-11(15-2)13(14)12(9-10)16-3/h8-9H,4-7H2,1-3H3 |
InChI Key: | RNIRAPKCOBGWHD-UHFFFAOYSA-N |
Complexity: | 173 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.05684 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.05684 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.1 |
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