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Home > Boronic Acids > 1218789-39-9
1218789-39-9 | Acetamide, N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]-
CAS No: 1218789-39-9 Catalog No: AG00167S MDL No:MFCD12546573
Product Description
Catalog Number:
AG00167S
Chemical Name:
Acetamide, N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]-
CAS Number:
1218789-39-9
Molecular Formula:
C17H24BNO3
Molecular Weight:
301.1884
MDL Number:
MFCD12546573
IUPAC Name:
N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]acetamide
InChI:
InChI=1S/C17H24BNO3/c1-12(20)19-17(10-11-17)13-6-8-14(9-7-13)18-21-15(2,3)16(4,5)22-18/h6-9H,10-11H2,1-5H3,(H,19,20)
InChI Key:
KKDGCTCNAIFTNV-UHFFFAOYSA-N
SMILES:
CC(=O)NC1(CC1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.185g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.193g/mol
Monoisotopic Mass:
301.185g/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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