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Home > Boronic Acids > 833486-94-5
833486-94-5 | 2-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CAS No: 833486-94-5 Catalog No: AG004W5W MDL No:MFCD06795680
Product Description
Catalog Number:
AG004W5W
Chemical Name:
2-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CAS Number:
833486-94-5
Molecular Formula:
C12H17BN2O4
Molecular Weight:
264.0854
MDL Number:
MFCD06795680
IUPAC Name:
2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
InChI:
InChI=1S/C12H17BN2O4/c1-11(2)12(3,4)19-13(18-11)8-5-6-9(14)10(7-8)15(16)17/h5-7H,14H2,1-4H3
InChI Key:
QOYJKGGBFKVKDP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1N)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.128g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.088g/mol
Monoisotopic Mass:
264.128g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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