Methyl 2-(bromomethyl)-3-fluorobenzoate - CAS 142314-72-5
Catalog: |
BB054390 |
Product Name: |
Methyl 2-(bromomethyl)-3-fluorobenzoate |
CAS: |
142314-72-5 |
Synonyms: |
Methyl 2-bromomethyl-3-fluorobenzoate |
IUPAC Name: | methyl 2-(bromomethyl)-3-fluorobenzoate |
Molecular Weight: | 247.06 |
Molecular Formula: | C9H8BrFO2 |
Canonical SMILES: | COC(=O)C1=C(C(=CC=C1)F)CBr |
InChI: | InChI=1S/C9H8BrFO2/c1-13-9(12)6-3-2-4-8(11)7(6)5-10/h2-4H,5H2,1H3 |
InChI Key: | JZULUDYJULULLS-UHFFFAOYSA-N |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.96917 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.96917 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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