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191171-49-0 | 1-Methyl-3-(3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS No: 191171-49-0 Catalog No: AG00ARJM MDL No:
Product Description
Catalog Number:
AG00ARJM
Chemical Name:
1-Methyl-3-(3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS Number:
191171-49-0
Molecular Formula:
C14H21BN2O3
Molecular Weight:
276.1391
IUPAC Name:
1-methyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C14H21BN2O3/c1-13(2)14(3,4)20-15(19-13)10-7-6-8-11(9-10)17-12(18)16-5/h6-9H,1-5H3,(H2,16,17,18)
InChI Key:
KNKHLDGDIHJRFI-UHFFFAOYSA-N
SMILES:
CNC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.165g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.143g/mol
Monoisotopic Mass:
276.165g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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