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Home > Boronic Acids > 956821-91-3
956821-91-3 | 2-methyl-6-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CAS No: 956821-91-3 Catalog No: AG00J2MG MDL No:MFCD22493820
Product Description
Catalog Number:
AG00J2MG
Chemical Name:
2-methyl-6-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CAS Number:
956821-91-3
Molecular Formula:
C13H19BN2O4
Molecular Weight:
278.1120
MDL Number:
MFCD22493820
IUPAC Name:
2-methyl-6-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
InChI:
InChI=1S/C13H19BN2O4/c1-8-6-9(7-10(11(8)15)16(17)18)14-19-12(2,3)13(4,5)20-14/h6-7H,15H2,1-5H3
InChI Key:
MXSKEFVXKIIMNX-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c1N)[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.144g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.115g/mol
Monoisotopic Mass:
278.144g/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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