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Home > Boronic Acids > 910235-65-3
910235-65-3 | N-[2-Methyl-3-(4,4,5,5-tetraMethyl[1,3,2]dioxaborolan-2-yl)phenyl]-4-(tert-butyl)benzaMide
CAS No: 910235-65-3 Catalog No: AG00GU4R MDL No:MFCD22570803
Product Description
Catalog Number:
AG00GU4R
Chemical Name:
N-[2-Methyl-3-(4,4,5,5-tetraMethyl[1,3,2]dioxaborolan-2-yl)phenyl]-4-(tert-butyl)benzaMide
CAS Number:
910235-65-3
Molecular Formula:
C24H32BNO3
Molecular Weight:
393.3268
MDL Number:
MFCD22570803
IUPAC Name:
4-tert-butyl-N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide
InChI:
InChI=1S/C24H32BNO3/c1-16-19(25-28-23(5,6)24(7,8)29-25)10-9-11-20(16)26-21(27)17-12-14-18(15-13-17)22(2,3)4/h9-15H,1-8H3,(H,26,27)
InChI Key:
ATTNKONWSRSBKY-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(C)(C)C)Nc1cccc(c1C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.248g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
393.334g/mol
Monoisotopic Mass:
393.248g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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