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1218791-40-2 | Benzenaminium, N,N,N-trimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, iodide (1:1)
CAS No: 1218791-40-2 Catalog No: AG0016BI MDL No:MFCD12546535
Product Description
Catalog Number:
AG0016BI
Chemical Name:
Benzenaminium, N,N,N-trimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, iodide (1:1)
CAS Number:
1218791-40-2
Molecular Formula:
C15H25BINO2
Molecular Weight:
389.0800
MDL Number:
MFCD12546535
IUPAC Name:
trimethyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]azanium;iodide
InChI:
InChI=1S/C15H25BNO2.HI/c1-14(2)15(3,4)19-16(18-14)12-10-8-9-11-13(12)17(5,6)7;/h8-11H,1-7H3;1H/q+1;/p-1
InChI Key:
DIOMMQPOFKDACP-UHFFFAOYSA-M
SMILES:
CC1(C)OB(OC1(C)C)c1ccccc1[N+](C)(C)C.[I-]
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.102g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.084g/mol
Monoisotopic Mass:
389.102g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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