| CAS Number | 2096338-86-0 |
| Catalog Number | AG01EHJF |
| Chemical Name | 2-Bromo-4-isopropylphenylboronic acid |
| IUPAC Name | (2-bromo-4-propan-2-ylphenyl)boronic acid |
| InChI | InChI=1S/C9H12BBrO2/c1-6(2)7-3-4-8(10(12)13)9(11)5-7/h3-6,12-13H,1-2H3 |
| InChI Key | YEHIZUUXYLXRNS-UHFFFAOYSA-N |
| MDL Number | MFCD18434420 |
| Molecular Formula | C9H12BBrO2 |
| Molecular Weight | 242.9054 |
| SMILES | OB(C1=CC=C(C(C)C)C=C1Br)O |
| Synonyms | 2-BROMO-4-ISOPROPYLPHENYLBORONIC ACID,
2096338-86-0,
(2-Bromo-4-isopropylphenyl)boronic acid,
SCHEMBL14805327,
MFCD18434420,
ZINC169934654,
Y2265,
A-3483,
A-4691,
C9H12BBrO2,
N/A,
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| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.907g/mol |
| Monoisotopic Mass | 242.011g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number