1-Bromo-2-(dimethoxymethyl)-3-fluorobenzene - CAS 1393442-56-2
Catalog: |
BB072252 |
Product Name: |
1-Bromo-2-(dimethoxymethyl)-3-fluorobenzene |
CAS: |
1393442-56-2 |
Synonyms: |
1-Bromo-2-(dimethoxymethyl)-3-fluorobenzene; Benzene, 1-bromo-2-(dimethoxymethyl)-3-fluoro- |
IUPAC Name: | 1-bromo-2-(dimethoxymethyl)-3-fluorobenzene |
Description: | 1-Bromo-2-(dimethoxymethyl)-3-fluorobenzene |
Molecular Weight: | 249.08 |
Molecular Formula: | C9H10BrFO2 |
Canonical SMILES: | COC(C1=C(C=CC=C1Br)F)OC |
InChI: | InChI=1S/C9H10BrFO2/c1-12-9(13-2)8-6(10)4-3-5-7(8)11/h3-5,9H,1-2H3 |
InChI Key: | PKIZATGPJNVPSE-UHFFFAOYSA-N |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.98482 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.98482 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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