Methyl 2-amino-3,5-dibromo-4-fluorobenzoate - CAS 1403483-78-2
Catalog: |
BB076089 |
Product Name: |
Methyl 2-amino-3,5-dibromo-4-fluorobenzoate |
CAS: |
1403483-78-2 |
Synonyms: |
METHYL 2-AMINO-3,5-DIBROMO-4-FLUOROBENZOATE; METHYL2-AMINO-3,5-DIBROMO-4-FLUOROBENZOATE; Benzoic acid, 2-amino-3,5-dibromo-4-fluoro-, methyl ester |
IUPAC Name: | methyl 2-amino-3,5-dibromo-4-fluorobenzoate |
Description: | Methyl 2-amino-3,5-dibromo-4-fluorobenzoate |
Molecular Weight: | 326.95 |
Molecular Formula: | C8H6Br2FNO2 |
Canonical SMILES: | COC(=O)C1=CC(=C(C(=C1N)Br)F)Br |
InChI: | InChI=1S/C8H6Br2FNO2/c1-14-8(13)3-2-4(9)6(11)5(10)7(3)12/h2H,12H2,1H3 |
InChI Key: | QLGCANMOKCVNDA-UHFFFAOYSA-N |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 326.87288 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 324.87493 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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