2-Bromo-4-fluoro-5-methoxybenzoic acid - CAS 1007455-21-1
Catalog: |
BB071727 |
Product Name: |
2-Bromo-4-fluoro-5-methoxybenzoic acid |
CAS: |
1007455-21-1 |
Synonyms: |
2-BROMO-4-FLUORO-5-METHOXYBENZOIC ACID; 2-BroMo-4-fluoro-5-Methoxybenzoicacid; 2-Bromo-4-fluoro-5-metoxybenzoic acid |
IUPAC Name: | 2-bromo-4-fluoro-5-methoxybenzoic acid |
Description: | 2-Bromo-4-fluoro-5-methoxybenzoic acid |
Molecular Weight: | 249.03 |
Molecular Formula: | C8H6BrFO3 |
Canonical SMILES: | COC1=C(C=C(C(=C1)C(=O)O)Br)F |
InChI: | InChI=1S/C8H6BrFO3/c1-13-7-2-4(8(11)12)5(9)3-6(7)10/h2-3H,1H3,(H,11,12) |
InChI Key: | HECJSMILDFGZPA-UHFFFAOYSA-N |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.94843 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.94843 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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