3,4-Dibromophenylboronic acid - CAS 1228180-83-3
Catalog: |
BB068121 |
Product Name: |
3,4-Dibromophenylboronic acid |
CAS: |
1228180-83-3 |
Synonyms: |
3,4-dibromophenylboronic acid; (3,4-dibromophenyl)boronic acid; 3,4-dibromophenylboronicacid |
IUPAC Name: | (3,4-dibromophenyl)boronic acid |
Description: | 3,4-Dibromophenylboronic acid |
Molecular Weight: | 279.72 |
Molecular Formula: | C6H5BBr2O2 |
Canonical SMILES: | B(C1=CC(=C(C=C1)Br)Br)(O)O |
InChI: | InChI=1S/C6H5BBr2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H |
InChI Key: | XKIRCGHFBJLPPW-UHFFFAOYSA-N |
Complexity: | 134 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 279.87289 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.87493 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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