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Home > Boronic Acids > 765949-02-8
765949-02-8 | Urea, N-(3-methylphenyl)-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CAS No: 765949-02-8 Catalog No: AG01FNML MDL No:
Product Description
Catalog Number:
AG01FNML
Chemical Name:
Urea, N-(3-methylphenyl)-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CAS Number:
765949-02-8
Molecular Formula:
C20H25BN2O3
Molecular Weight:
352.2351
IUPAC Name:
1-(3-methylphenyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C20H25BN2O3/c1-14-7-6-8-17(13-14)23-18(24)22-16-11-9-15(10-12-16)21-25-19(2,3)20(4,5)26-21/h6-13H,1-5H3,(H2,22,23,24)
InChI Key:
RRBQRXSUDSDIMI-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)C)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.196g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
352.241g/mol
Monoisotopic Mass:
352.196g/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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