3-Amino-5-bromo-2-fluorobenzoic acid - CAS 1339056-03-9
Catalog: |
BB075105 |
Product Name: |
3-Amino-5-bromo-2-fluorobenzoic acid |
CAS: |
1339056-03-9 |
Synonyms: |
3-amino-5-bromo-2-fluorobenzoic acid; 3-AMINO-5-BROMO-2-FLUOROBENZOICACID |
IUPAC Name: | 3-amino-5-bromo-2-fluorobenzoic acid |
Description: | 3-Amino-5-bromo-2-fluorobenzoic acid |
Molecular Weight: | 234.02 |
Molecular Formula: | C7H5BrFNO2 |
Canonical SMILES: | C1=C(C=C(C(=C1C(=O)O)F)N)Br |
InChI: | InChI=1S/C7H5BrFNO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12) |
InChI Key: | MRTOTKCKUHHOLC-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: | 232.94877 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.94877 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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