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Home > Boronic Acids > 1351374-48-5
1351374-48-5 | N-Cyclopropyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CAS No: 1351374-48-5 Catalog No: AG00HTW4 MDL No:MFCD28403873
Product Description
Catalog Number:
AG00HTW4
Chemical Name:
N-Cyclopropyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CAS Number:
1351374-48-5
Molecular Formula:
C17H24BNO3
Molecular Weight:
301.1884
MDL Number:
MFCD28403873
IUPAC Name:
N-cyclopropyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI:
InChI=1S/C17H24BNO3/c1-11-10-12(18-21-16(2,3)17(4,5)22-18)6-9-14(11)15(20)19-13-7-8-13/h6,9-10,13H,7-8H2,1-5H3,(H,19,20)
InChI Key:
SVALSHAHFMBAEX-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1C)B1OC(C(O1)(C)C)(C)C)NC1CC1
Properties
Complexity:
431
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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