4-(1-Cyano-1-methylethyl)-2-fluorophenylboronic acid - CAS 1793003-65-2
Catalog: |
BB069025 |
Product Name: |
4-(1-Cyano-1-methylethyl)-2-fluorophenylboronic acid |
CAS: |
1793003-65-2 |
Synonyms: |
4-(1-Cyano-1-methylethyl)-2-fluorophenylboronic acid; [4-(2-cyanopropan-2-yl)-2-fluorophenyl]boronic acid; 4-(1-Cyano-1-methylethyl)-2-fluorophenylboronicacid |
IUPAC Name: | [4-(2-cyanopropan-2-yl)-2-fluorophenyl]boronic acid |
Description: | 4-(1-Cyano-1-methylethyl)-2-fluorophenylboronic acid |
Molecular Weight: | 207.01 |
Molecular Formula: | C10H11BFNO2 |
Canonical SMILES: | B(C1=C(C=C(C=C1)C(C)(C)C#N)F)(O)O |
InChI: | InChI=1S/C10H11BFNO2/c1-10(2,6-13)7-3-4-8(11(14)15)9(12)5-7/h3-5,14-15H,1-2H3 |
InChI Key: | PYLDACORZHNYTJ-UHFFFAOYSA-N |
Complexity: | 274 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.0866869 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.0866869 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 64.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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