2-(3-Isothiocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane - CAS 1350315-35-3
Catalog: |
BB060519 |
Product Name: |
2-(3-Isothiocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
CAS: |
1350315-35-3 |
Synonyms: |
2-(3-ISOTHIOCYANATOPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE |
IUPAC Name: | 2-(3-isothiocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 2-(3-Isothiocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Molecular Weight: | 261.15 |
Molecular Formula: | C13H16BNO2S |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)N=C=S |
InChI: | InChI=1S/C13H16BNO2S/c1-12(2)13(3,4)17-14(16-12)10-6-5-7-11(8-10)15-9-18/h5-8H,1-4H3 |
InChI Key: | IFEBGKYCPRDBJV-UHFFFAOYSA-N |
Complexity: | 350 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.0994801 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.0994801 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 62.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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