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Home > Boronic Acids > 2096998-09-1
2096998-09-1 | 1-(2-Methoxy-4-nitrophenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CAS No: 2096998-09-1 Catalog No: AG01EHCV MDL No:MFCD20231484
Product Description
Catalog Number:
AG01EHCV
Chemical Name:
1-(2-Methoxy-4-nitrophenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CAS Number:
2096998-09-1
MDL Number:
MFCD20231484
IUPAC Name:
1-(2-methoxy-4-nitrophenyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C20H24BN3O6/c1-19(2)20(3,4)30-21(29-19)13-7-6-8-14(11-13)22-18(25)23-16-10-9-15(24(26)27)12-17(16)28-5/h6-12H,1-5H3,(H2,22,23,25)
InChI Key:
KUUJXUKRZQTSMM-UHFFFAOYSA-N
Properties
Complexity:
625
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.176g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
413.237g/mol
Monoisotopic Mass:
413.176g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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