Home Nitros 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[2-nitro-5-(trifluoromethyl)phenyl]-

1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[2-nitro-5-(trifluoromethyl)phenyl]-

CAS No.:
1218791-26-4
Catalog Number:
AG0016AN
Molecular Formula:
C13H15BF3NO4
Molecular Weight:
317.0687
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Product Description
Catalog Number:
AG0016AN
Chemical Name:
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[2-nitro-5-(trifluoromethyl)phenyl]-
CAS Number:
1218791-26-4
Molecular Formula:
C13H15BF3NO4
Molecular Weight:
317.0687
MDL Number:
MFCD12756467
IUPAC Name:
4,4,5,5-tetramethyl-2-[2-nitro-5-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H15BF3NO4/c1-11(2)12(3,4)22-14(21-11)9-7-8(13(15,16)17)5-6-10(9)18(19)20/h5-7H,1-4H3
InChI Key:
YPGBEGMKLJECCM-UHFFFAOYSA-N
SMILES:
FC(c1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-])(F)F
Properties
Complexity:
434  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.105g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.071g/mol
Monoisotopic Mass:
317.105g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties