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Home > Boronic Acids > 1218791-28-6
1218791-28-6 | 4-Nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS No: 1218791-28-6 Catalog No: AG009IPS MDL No:MFCD12546472
Product Description
Catalog Number:
AG009IPS
Chemical Name:
4-Nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS Number:
1218791-28-6
Molecular Formula:
C13H15BN2O4
Molecular Weight:
274.0802
MDL Number:
MFCD12546472
IUPAC Name:
4-nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C13H15BN2O4/c1-12(2)13(3,4)20-14(19-12)11-7-10(16(17)18)6-5-9(11)8-15/h5-7H,1-4H3
InChI Key:
JPOBIUGNFDSEOW-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-]
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.112g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.083g/mol
Monoisotopic Mass:
274.112g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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