5-Amino-4-chloro-2-fluorobenzoic Acid - CAS 957187-25-6
Catalog: |
BB075043 |
Product Name: |
5-Amino-4-chloro-2-fluorobenzoic Acid |
CAS: |
957187-25-6 |
Synonyms: |
5-amino-4-chloro-2-fluorobenzoic acid; 5-Amino-4-chloro-2-fluoro-benzoic acid; 5-amino-4-chloro-2-fluorobenzoicacid |
IUPAC Name: | 5-amino-4-chloro-2-fluorobenzoic acid |
Description: | 5-Amino-4-chloro-2-fluorobenzoic acid |
Molecular Weight: | 189.57 |
Molecular Formula: | C7H5ClFNO2 |
Canonical SMILES: | C1=C(C(=CC(=C1N)Cl)F)C(=O)O |
InChI: | InChI=1S/C7H5ClFNO2/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2H,10H2,(H,11,12) |
InChI Key: | UTSRABQCSOHYHQ-UHFFFAOYSA-N |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.9992843 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.9992843 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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