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1218791-41-3 | Acetamide, N-[4-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, hydrochloride (1:1)
CAS No: 1218791-41-3 Catalog No: AG0016BH MDL No:MFCD12546537
Product Description
Catalog Number:
AG0016BH
Chemical Name:
Acetamide, N-[4-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, hydrochloride (1:1)
CAS Number:
1218791-41-3
Molecular Formula:
C14H22BClN2O3
Molecular Weight:
312.6001
MDL Number:
MFCD12546537
IUPAC Name:
N-[4-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;hydrochloride
InChI:
InChI=1S/C14H21BN2O3.ClH/c1-9(18)17-12-7-6-10(16)8-11(12)15-19-13(2,3)14(4,5)20-15;/h6-8H,16H2,1-5H3,(H,17,18);1H
InChI Key:
ATYIXMCKKKZHOY-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1B1OC(C(O1)(C)C)(C)C)N.Cl
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.141g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
312.601g/mol
Monoisotopic Mass:
312.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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