1-[3-Chloro-4-(dihydroxyboranyl)phenyl]cyclopropane-1-carboxylic acid - CAS 1628507-88-9
Catalog: |
BB062435 |
Product Name: |
1-[3-Chloro-4-(dihydroxyboranyl)phenyl]cyclopropane-1-carboxylic acid |
CAS: |
1628507-88-9 |
Synonyms: |
1-[3-Chloro-4-(dihydroxyboranyl)phenyl]cyclopropane-1-carboxylic acid; 1-(4-borono-3-chlorophenyl)cyclopropanecarboxylic acid; 1-(4-borono-3-chlorophenyl)cyclopropane-1-carboxylic acid |
IUPAC Name: | 1-(4-borono-3-chlorophenyl)cyclopropane-1-carboxylic acid |
Description: | 1-[3-Chloro-4-(dihydroxyboranyl)phenyl]cyclopropane-1-carboxylic acid |
Molecular Weight: | 240.44 |
Molecular Formula: | C10H10BClO4 |
Canonical SMILES: | B(C1=C(C=C(C=C1)C2(CC2)C(=O)O)Cl)(O)O |
InChI: | InChI=1S/C10H10BClO4/c12-8-5-6(1-2-7(8)11(15)16)10(3-4-10)9(13)14/h1-2,5,15-16H,3-4H2,(H,13,14) |
InChI Key: | WZTRQYNCERVOEM-UHFFFAOYSA-N |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.0360667 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.0360667 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 77.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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