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Home > Boronic Acids > 871329-51-0
871329-51-0 | 3-Nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CAS No: 871329-51-0 Catalog No: AG004TVN MDL No:MFCD07363740
Product Description
Catalog Number:
AG004TVN
Chemical Name:
3-Nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CAS Number:
871329-51-0
Molecular Formula:
C12H17BN2O4
Molecular Weight:
264.0854
MDL Number:
MFCD07363740
IUPAC Name:
3-nitro-5-(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)8-5-9(14)7-10(6-8)15(16)17/h5-7H,14H2,1-4H3
InChI Key:
KLYYWEHPIHBBHC-UHFFFAOYSA-N
SMILES:
Nc1cc(cc(c1)[N+](=O)[O-])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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