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Home > Boronic Acids > 1218790-49-8

1218790-49-8

1218790-49-8 | Benzamide, N-2-propyn-1-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

CAS No: 1218790-49-8 Catalog No: AG00169U MDL No:MFCD11113041

Product Description

Catalog Number:
AG00169U
Chemical Name:
Benzamide, N-2-propyn-1-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1218790-49-8
Molecular Formula:
C16H20BNO3
Molecular Weight:
285.1459
MDL Number:
MFCD11113041
IUPAC Name:
N-prop-2-ynyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI:
InChI=1S/C16H20BNO3/c1-6-11-18-14(19)12-7-9-13(10-8-12)17-20-15(2,3)16(4,5)21-17/h1,7-10H,11H2,2-5H3,(H,18,19)
InChI Key:
BUZIZNWTLHGQQO-UHFFFAOYSA-N
SMILES:
C#CCNC(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C

Properties

Complexity:
428  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.154g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
285.15g/mol
Monoisotopic Mass:
285.154g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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