3-Bromo-5-isopropylphenylboronic acid - CAS 1451390-87-6
Catalog: |
BB071536 |
Product Name: |
3-Bromo-5-isopropylphenylboronic acid |
CAS: |
1451390-87-6 |
Synonyms: |
3-Bromo-5-isopropylphenylboronic acid; (3-Bromo-5-isopropylphenyl)boronic acid; (3-bromo-5-propan-2-ylphenyl)boronic acid; (3-Bromo-5-isopropylphenyl)boronicacid |
IUPAC Name: | (3-bromo-5-propan-2-ylphenyl)boronic acid |
Description: | 3-Bromo-5-isopropylphenylboronic acid |
Molecular Weight: | 242.91 |
Molecular Formula: | C9H12BBrO2 |
Canonical SMILES: | B(C1=CC(=CC(=C1)Br)C(C)C)(O)O |
InChI: | InChI=1S/C9H12BBrO2/c1-6(2)7-3-8(10(12)13)5-9(11)4-7/h3-6,12-13H,1-2H3 |
InChI Key: | DNQVEISBEIMQOG-UHFFFAOYSA-N |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.01137 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.01137 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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