3-Carboxy-2-chlorophenylboronic acid - CAS 1314264-58-8
Catalog: |
BB070616 |
Product Name: |
3-Carboxy-2-chlorophenylboronic acid |
CAS: |
1314264-58-8 |
Synonyms: |
3-Borono-2-chlorobenzoic acid; 3-CARBOXY-2-CHLOROPHENYLBORONIC ACID; 3-Borono-2-chlorobenzoicacid |
IUPAC Name: | 3-borono-2-chlorobenzoic acid |
Description: | 3-Carboxy-2-chlorophenylboronic acid |
Molecular Weight: | 200.38 |
Molecular Formula: | C7H6BClO4 |
Canonical SMILES: | B(C1=C(C(=CC=C1)C(=O)O)Cl)(O)O |
InChI: | InChI=1S/C7H6BClO4/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,12-13H,(H,10,11) |
InChI Key: | YYPCOIKUZIKPGL-UHFFFAOYSA-N |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.0047665 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.0047665 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 77.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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