4-Nitro-2-(trifluoromethyl)phenylboronic acid, pinacol ester - CAS 1810767-17-9
Catalog: |
BB058699 |
Product Name: |
4-Nitro-2-(trifluoromethyl)phenylboronic acid, pinacol ester |
CAS: |
1810767-17-9 |
Synonyms: |
4,4,5,5-TETRAMETHYL-2-(4-NITRO-2-(TRIFLUOROMETHYL)PHENYL)-1,3,2-DIOXABOROLANE; 4-NITRO-2-(TRIFLUOROMETHYL)PHENYLBORONIC ACID, PINACOL ESTER; 4,4,5,5-TETRAMETHYL-2-[4-NITRO-2-(TRIFLUOROMETHYL)PHENYL]-1,3,2-DIOXABOROLANE |
IUPAC Name: | 4,4,5,5-tetramethyl-2-[4-nitro-2-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane |
Description: | 4-Nitro-2-(trifluoromethyl)phenylboronic acid, pinacol ester |
Molecular Weight: | 335.08 |
Molecular Formula: | C13H17BF3NO5 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F |
InChI: | InChI=1S/C13H15BF3NO4/c1-11(2)12(3,4)22-14(21-11)10-6-5-8(18(19)20)7-9(10)13(15,16)17/h5-7H,1-4H3 |
InChI Key: | DEDLDBFSBFSSPH-UHFFFAOYSA-N |
Complexity: | 434 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 317.1046226 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 317.1046226 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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