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Home > Boronic Acids > 1218791-21-9
1218791-21-9 | N-Isopropyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CAS No: 1218791-21-9 Catalog No: AG009IPW MDL No:MFCD12546468
Product Description
Catalog Number:
AG009IPW
Chemical Name:
N-Isopropyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CAS Number:
1218791-21-9
Molecular Formula:
C15H23BN2O4
Molecular Weight:
306.1651
MDL Number:
MFCD12546468
IUPAC Name:
2-nitro-N-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
InChI:
InChI=1S/C15H23BN2O4/c1-10(2)17-12-8-7-11(9-13(12)18(19)20)16-21-14(3,4)15(5,6)22-16/h7-10,17H,1-6H3
InChI Key:
CPFXSYOPICKDOB-UHFFFAOYSA-N
SMILES:
CC(Nc1ccc(cc1[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.175g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.169g/mol
Monoisotopic Mass:
306.175g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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