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Home > Boronic Acids > 1218791-24-2
1218791-24-2 | N,N-Dimethyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CAS No: 1218791-24-2 Catalog No: AG009IPN MDL No:MFCD12546469
Product Description
Catalog Number:
AG009IPN
Chemical Name:
N,N-Dimethyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CAS Number:
1218791-24-2
Molecular Formula:
C14H21BN2O4
Molecular Weight:
292.1385
MDL Number:
MFCD12546469
IUPAC Name:
N,N-dimethyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
InChI:
InChI=1S/C14H21BN2O4/c1-13(2)14(3,4)21-15(20-13)10-7-8-11(16(5)6)12(9-10)17(18)19/h7-9H,1-6H3
InChI Key:
QQXHNZGBTCPTLU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1N(C)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.159g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.142g/mol
Monoisotopic Mass:
292.159g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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