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Home > Boronic Acids > 874297-79-7
874297-79-7 | 1-Cyclopropyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS No: 874297-79-7 Catalog No: AG0036BO MDL No:MFCD08689493
Product Description
Catalog Number:
AG0036BO
Chemical Name:
1-Cyclopropyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
CAS Number:
874297-79-7
Molecular Formula:
C16H23BN2O3
Molecular Weight:
302.1764
MDL Number:
MFCD08689493
IUPAC Name:
1-cyclopropyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C16H23BN2O3/c1-15(2)16(3,4)22-17(21-15)11-5-7-12(8-6-11)18-14(20)19-13-9-10-13/h5-8,13H,9-10H2,1-4H3,(H2,18,19,20)
InChI Key:
TUHNHHNBHVOYFR-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)NC1CC1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.18g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.181g/mol
Monoisotopic Mass:
302.18g/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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