1-Bromo-2-chloro-4,5-dimethoxybenzene - CAS 753502-60-2
Catalog: |
BB072168 |
Product Name: |
1-Bromo-2-chloro-4,5-dimethoxybenzene |
CAS: |
753502-60-2 |
Synonyms: |
1-Bromo-2-chloro-4,5-dimethoxybenzene; 1-BROMO-2-CHLORO-4,5-DIMETHOXY-BENZENE; 1,2-Dimethoxy-4-bromo-5-chlorobenzene |
IUPAC Name: | 1-bromo-2-chloro-4,5-dimethoxybenzene |
Description: | 1-Bromo-2-chloro-4,5-dimethoxybenzene |
Molecular Weight: | 251.51 |
Molecular Formula: | C8H8BrClO2 |
Canonical SMILES: | COC1=CC(=C(C=C1OC)Br)Cl |
InChI: | InChI=1S/C8H8BrClO2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,1-2H3 |
InChI Key: | BXXGRXCHOHYKGC-UHFFFAOYSA-N |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.93962 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.93962 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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