3-Chloro-5-formylphenylboronic acid - CAS 1451393-35-3
Catalog: |
BB069970 |
Product Name: |
3-Chloro-5-formylphenylboronic acid |
CAS: |
1451393-35-3 |
Synonyms: |
3-CHLORO-5-FORMYLPHENYLBORONIC ACID; (3-Chloro-5-formylphenyl)boronic acid; 5-Chloro-3-formylphenylboronicacid |
IUPAC Name: | (3-chloro-5-formylphenyl)boronic acid |
Description: | 3-Chloro-5-formylphenylboronic acid |
Molecular Weight: | 184.38 |
Molecular Formula: | C7H6BClO3 |
Canonical SMILES: | B(C1=CC(=CC(=C1)Cl)C=O)(O)O |
InChI: | InChI=1S/C7H6BClO3/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-4,11-12H |
InChI Key: | AIHAWPBOAVSYOE-UHFFFAOYSA-N |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.0098519 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.0098519 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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