3-Chloro-5-(pyrrolidin-1-yl)phenylboronic acid - CAS 1402238-28-1
Catalog: |
BB069887 |
Product Name: |
3-Chloro-5-(pyrrolidin-1-yl)phenylboronic acid |
CAS: |
1402238-28-1 |
Synonyms: |
3-CHLORO-5-(PYRROLIDIN-1-YL)PHENYLBORONIC ACID; (3-Chloro-5-(pyrrolidin-1-yl)phenyl)boronic acid; (3-chloro-5-pyrrolidin-1-ylphenyl)boronic acid |
IUPAC Name: | (3-chloro-5-pyrrolidin-1-ylphenyl)boronic acid |
Description: | 3-Chloro-5-(pyrrolidin-1-yl)phenylboronic acid |
Molecular Weight: | 225.48 |
Molecular Formula: | C10H13BClNO2 |
Canonical SMILES: | B(C1=CC(=CC(=C1)Cl)N2CCCC2)(O)O |
InChI: | InChI=1S/C10H13BClNO2/c12-9-5-8(11(14)15)6-10(7-9)13-3-1-2-4-13/h5-7,14-15H,1-4H2 |
InChI Key: | DUNHVJDDMIGSQO-UHFFFAOYSA-N |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.0727865 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.0727865 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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