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Home > Boronic Acids > 882679-88-1
882679-88-1 | 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CAS No: 882679-88-1 Catalog No: AG01C0DX MDL No:MFCD18730410
Product Description
Catalog Number:
AG01C0DX
Chemical Name:
4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CAS Number:
882679-88-1
Molecular Formula:
C14H20BNO3
Molecular Weight:
261.1245
MDL Number:
MFCD18730410
IUPAC Name:
4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI:
InChI=1S/C14H20BNO3/c1-9-6-7-10(12(16)17)8-11(9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H2,16,17)
InChI Key:
IGWSRFURPVWHEG-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.154g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.128g/mol
Monoisotopic Mass:
261.154g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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