3-Bromo-4-methylphenylboronic acid - CAS 1312765-69-7
Catalog: |
BB071526 |
Product Name: |
3-Bromo-4-methylphenylboronic acid |
CAS: |
1312765-69-7 |
Synonyms: |
3-BROMO-4-METHYLPHENYLBORONIC ACID; (3-Bromo-4-methylphenyl)boronic acid; (3-Bromo-4-methylphenyl)boronicacid |
IUPAC Name: | (3-bromo-4-methylphenyl)boronic acid |
Description: | 3-Bromo-4-methylphenylboronic acid |
Molecular Weight: | 214.85 |
Molecular Formula: | C7H8BBrO2 |
Canonical SMILES: | B(C1=CC(=C(C=C1)C)Br)(O)O |
InChI: | InChI=1S/C7H8BBrO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,10-11H,1H3 |
InChI Key: | VBESRPDPCSIDEN-UHFFFAOYSA-N |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.98007 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.98007 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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