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1150271-70-7 | Benzenamine, N-ethyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1150271-70-7 Catalog No: AG000FQJ MDL No:MFCD12026079
Product Description
Catalog Number:
AG000FQJ
Chemical Name:
Benzenamine, N-ethyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1150271-70-7
Molecular Formula:
C14H21BN2O4
Molecular Weight:
292.1385
MDL Number:
MFCD12026079
IUPAC Name:
N-ethyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
InChI:
InChI=1S/C14H21BN2O4/c1-6-16-11-8-7-10(9-12(11)17(18)19)15-20-13(2,3)14(4,5)21-15/h7-9,16H,6H2,1-5H3
InChI Key:
BXMDNQXPKGCKNI-UHFFFAOYSA-N
SMILES:
CCNc1ccc(cc1[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
381
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:
1
Isotope Atom Count:
0
Molecular Weight:
292.142g/mol
Monoisotopic Mass:
292.159g/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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