Methyl 4,6-Dibromo-3-fluoro-2-methylbenzoate - CAS 119916-08-4
Catalog: |
BB059731 |
Product Name: |
Methyl 4,6-Dibromo-3-fluoro-2-methylbenzoate |
CAS: |
119916-08-4 |
Synonyms: |
4,6-DIBROMO-3-FLUORO-2-METHYL-BENZOIC ACID METHYLESTER; Methyl 4,6-dibromo-3-fluoro-2-methylbenzoate; 4,6-Dibromo-3-fluoro-2-methyl-benzoic acid methyl ester |
IUPAC Name: | methyl 4,6-dibromo-3-fluoro-2-methylbenzoate |
Description: | Methyl 4,6-Dibromo-3-fluoro-2-methylbenzoate is a useful reactant in organic synthesis. |
Molecular Weight: | 325.96 |
Molecular Formula: | C9H7Br2FO2 |
Canonical SMILES: | CC1=C(C(=CC(=C1F)Br)Br)C(=O)OC |
InChI: | InChI=1S/C9H7Br2FO2/c1-4-7(9(13)14-2)5(10)3-6(11)8(4)12/h3H,1-2H3 |
InChI Key: | NCKAZFAODCSNBV-UHFFFAOYSA-N |
References: | Miyamoto, Hisashi, et al. Bioorg. & Med. Chem., 3(12), 1699-706 (1995). |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 325.87763 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 323.87968 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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