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827614-68-6 | 4-(Cyclopropylaminocarbonyl)Phenylboronic Acid, Pinacol Ester
CAS No: 827614-68-6 Catalog No: AG003689 MDL No:MFCD05663848
Product Description
Catalog Number:
AG003689
Chemical Name:
4-(Cyclopropylaminocarbonyl)Phenylboronic Acid, Pinacol Ester
CAS Number:
827614-68-6
Molecular Formula:
C16H22BNO3
Molecular Weight:
287.1618
MDL Number:
MFCD05663848
IUPAC Name:
N-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI:
InChI=1S/C16H22BNO3/c1-15(2)16(3,4)21-17(20-15)12-7-5-11(6-8-12)14(19)18-13-9-10-13/h5-8,13H,9-10H2,1-4H3,(H,18,19)
InChI Key:
PXTNJXLWXIJJIM-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)NC1CC1
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.169g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.166g/mol
Monoisotopic Mass:
287.169g/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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