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Home > Boronic Acids > 874299-26-0
874299-26-0 | 1-(2-methoxyethyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS No: 874299-26-0 Catalog No: AG00IEL0 MDL No:
Product Description
Catalog Number:
AG00IEL0
Chemical Name:
1-(2-methoxyethyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS Number:
874299-26-0
Molecular Formula:
C16H25BN2O4
Molecular Weight:
320.1917
IUPAC Name:
1-(2-methoxyethyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C16H25BN2O4/c1-15(2)16(3,4)23-17(22-15)12-7-6-8-13(11-12)19-14(20)18-9-10-21-5/h6-8,11H,9-10H2,1-5H3,(H2,18,19,20)
InChI Key:
HJCRQUOXLLSLOC-UHFFFAOYSA-N
SMILES:
COCCNC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.191g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.196g/mol
Monoisotopic Mass:
320.191g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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