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Home > Boronic Acids > 956821-93-5
956821-93-5 | N-Methyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);aniline
CAS No: 956821-93-5 Catalog No: AG00H8LB MDL No:MFCD12026089
Product Description
Catalog Number:
AG00H8LB
Chemical Name:
N-Methyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);aniline
CAS Number:
956821-93-5
Molecular Formula:
C13H19BN2O4
Molecular Weight:
278.1120
MDL Number:
MFCD12026089
IUPAC Name:
N-methyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
InChI:
InChI=1S/C13H19BN2O4/c1-12(2)13(3,4)20-14(19-12)9-6-7-10(15-5)11(8-9)16(17)18/h6-8,15H,1-5H3
InChI Key:
XTOIYOHQFNGBRM-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
367
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:
2
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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