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2096998-08-0 | 1-(4-Nitrophenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CAS No: 2096998-08-0 Catalog No: AG01EHJ4 MDL No:MFCD20231472
Product Description
Catalog Number:
AG01EHJ4
Chemical Name:
1-(4-Nitrophenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CAS Number:
2096998-08-0
MDL Number:
MFCD20231472
IUPAC Name:
1-(4-nitrophenyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C19H22BN3O5/c1-18(2)19(3,4)28-20(27-18)13-6-5-7-15(12-13)22-17(24)21-14-8-10-16(11-9-14)23(25)26/h5-12H,1-4H3,(H2,21,22,24)
InChI Key:
NOVQIKAFDWZNTL-UHFFFAOYSA-N
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.165g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
383.211g/mol
Monoisotopic Mass:
383.165g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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