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Home > Boronic Acids > 874297-81-1
874297-81-1 | 1-Cyclohexyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS No: 874297-81-1 Catalog No: AG01DTQK MDL No:
Product Description
Catalog Number:
AG01DTQK
Chemical Name:
1-Cyclohexyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS Number:
874297-81-1
Molecular Formula:
C19H29BN2O3
Molecular Weight:
344.2562
IUPAC Name:
1-cyclohexyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C19H29BN2O3/c1-18(2)19(3,4)25-20(24-18)14-10-12-16(13-11-14)22-17(23)21-15-8-6-5-7-9-15/h10-13,15H,5-9H2,1-4H3,(H2,21,22,23)
InChI Key:
ZTWRGAHFDGVATQ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)NC1CCCCC1
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.227g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.262g/mol
Monoisotopic Mass:
344.227g/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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