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Home > Boronic Acids > 874299-11-3
874299-11-3 | 1-Cyclopentyl-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS No: 874299-11-3 Catalog No: AG00IEKS MDL No:
Product Description
Catalog Number:
AG00IEKS
Chemical Name:
1-Cyclopentyl-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS Number:
874299-11-3
Molecular Formula:
C18H27BN2O3
Molecular Weight:
330.2296
IUPAC Name:
1-cyclopentyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C18H27BN2O3/c1-17(2)18(3,4)24-19(23-17)13-8-7-11-15(12-13)21-16(22)20-14-9-5-6-10-14/h7-8,11-12,14H,5-6,9-10H2,1-4H3,(H2,20,21,22)
InChI Key:
YLGKLVOKNAWIBF-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C)NC1CCCC1
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.211g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.235g/mol
Monoisotopic Mass:
330.211g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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