Home Boronic acids (4-(2-((tert-butoxycarbonyl)(cyclopentyl)aMino)ethoxy)-3-fluorophenyl)boronic acid

(4-(2-((tert-butoxycarbonyl)(cyclopentyl)aMino)ethoxy)-3-fluorophenyl)boronic acid

CAS No.:
1704096-01-4
Catalog Number:
AG00ARCR
Molecular Formula:
C18H27BFNO5
Molecular Weight:
367.2201
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Product Description
Catalog Number:
AG00ARCR
Chemical Name:
(4-(2-((tert-butoxycarbonyl)(cyclopentyl)aMino)ethoxy)-3-fluorophenyl)boronic acid
CAS Number:
1704096-01-4
Molecular Formula:
C18H27BFNO5
Molecular Weight:
367.2201
MDL Number:
MFCD28805591
IUPAC Name:
[4-[2-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-fluorophenyl]boronic acid
InChI:
InChI=1S/C18H27BFNO5/c1-18(2,3)26-17(22)21(14-6-4-5-7-14)10-11-25-16-9-8-13(19(23)24)12-15(16)20/h8-9,12,14,23-24H,4-7,10-11H2,1-3H3
InChI Key:
QEMJXFBSJMXNLX-UHFFFAOYSA-N
SMILES:
O=C(N(C1CCCC1)CCOc1ccc(cc1F)B(O)O)OC(C)(C)C
Properties
Complexity:
453  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.197g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
367.224g/mol
Monoisotopic Mass:
367.197g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties