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Home > Boronic Acids > 933987-10-1
933987-10-1 | 4-(N-CyclopentylcarbaMoyl)benzeneboronic acid pinacol ester, 95%
CAS No: 933987-10-1 Catalog No: AG00H1TA MDL No:MFCD16660857
Product Description
Catalog Number:
AG00H1TA
Chemical Name:
4-(N-CyclopentylcarbaMoyl)benzeneboronic acid pinacol ester, 95%
CAS Number:
933987-10-1
Molecular Formula:
C18H26BNO3
Molecular Weight:
315.2149
MDL Number:
MFCD16660857
IUPAC Name:
N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI:
InChI=1S/C18H26BNO3/c1-17(2)18(3,4)23-19(22-17)14-11-9-13(10-12-14)16(21)20-15-7-5-6-8-15/h9-12,15H,5-8H2,1-4H3,(H,20,21)
InChI Key:
ZEYNCUYCJKNKER-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)NC1CCCC1
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.201g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.22g/mol
Monoisotopic Mass:
315.201g/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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