4,5-Dichloro-2-methylphenylboronic acid - CAS 1612184-33-4
Catalog: |
BB062860 |
Product Name: |
4,5-Dichloro-2-methylphenylboronic acid |
CAS: |
1612184-33-4 |
Synonyms: |
4,5-Dichloro-2-methylphenylboronic acid; (4,5-dichloro-2-methylphenyl)boronic acid; (4,5-dichloro-2-methylphenyl)boronicacid |
IUPAC Name: | (4,5-dichloro-2-methylphenyl)boronic acid |
Description: | 4,5-Dichloro-2-methylphenylboronic acid |
Molecular Weight: | 204.85 |
Molecular Formula: | C7H7BCl2O2 |
Canonical SMILES: | B(C1=CC(=C(C=C1C)Cl)Cl)(O)O |
InChI: | InChI=1S/C7H7BCl2O2/c1-4-2-6(9)7(10)3-5(4)8(11)12/h2-3,11-12H,1H3 |
InChI Key: | LBJTUVOHTOREJR-UHFFFAOYSA-N |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.991615 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.991615 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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