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850567-45-2 | N-Cyclopentyl-3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzamide
CAS No: 850567-45-2 Catalog No: AG004PCC MDL No:MFCD06659914
Product Description
Catalog Number:
AG004PCC
Chemical Name:
N-Cyclopentyl-3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzamide
CAS Number:
850567-45-2
Molecular Formula:
C17H24BNO3
Molecular Weight:
301.1884
MDL Number:
MFCD06659914
IUPAC Name:
N-cyclopentyl-3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzamide
InChI:
InChI=1S/C17H24BNO3/c1-17(2)11-21-18(22-12-17)14-7-5-6-13(10-14)16(20)19-15-8-3-4-9-15/h5-7,10,15H,3-4,8-9,11-12H2,1-2H3,(H,19,20)
InChI Key:
MHKAPNIFTSTPDU-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)B1OCC(CO1)(C)C)NC1CCCC1
Properties
Complexity:
385
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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