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1218789-98-0 | Benzeneacetamide, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1218789-98-0 Catalog No: AG001685 MDL No:MFCD12913986
Product Description
Catalog Number:
AG001685
Chemical Name:
Benzeneacetamide, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1218789-98-0
Molecular Formula:
C14H20BNO3
Molecular Weight:
261.1245
MDL Number:
MFCD12913986
IUPAC Name:
2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
InChI:
InChI=1S/C14H20BNO3/c1-13(2)14(3,4)19-15(18-13)11-8-6-5-7-10(11)9-12(16)17/h5-8H,9H2,1-4H3,(H2,16,17)
InChI Key:
CPFGCHYGAVWSDA-UHFFFAOYSA-N
SMILES:
NC(=O)Cc1ccccc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
341
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:
3
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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