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Home > Boronic Acids > 590418-05-6
590418-05-6 | 2-Methyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)aniline
CAS No: 590418-05-6 Catalog No: AG00EL42 MDL No:MFCD09033882
Product Description
Catalog Number:
AG00EL42
Chemical Name:
2-Methyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)aniline
CAS Number:
590418-05-6
Molecular Formula:
C13H20BNO2
Molecular Weight:
233.1144
MDL Number:
MFCD09033882
IUPAC Name:
2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
InChI:
InChI=1S/C13H20BNO2/c1-9-8-10(6-7-11(9)15)14-16-12(2,3)13(4,5)17-14/h6-8H,15H2,1-5H3
InChI Key:
BXTJBKJWBAHLEZ-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.159g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.118g/mol
Monoisotopic Mass:
233.159g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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