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Home > Boronic Acids > 917111-46-7
917111-46-7 | 1-Ethyl-3-(2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);phenyl);urea
CAS No: 917111-46-7 Catalog No: AG003EAN MDL No:MFCD08458185
Product Description
Catalog Number:
AG003EAN
Chemical Name:
1-Ethyl-3-(2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);phenyl);urea
CAS Number:
917111-46-7
Molecular Formula:
C16H25BN2O4
Molecular Weight:
320.1917
MDL Number:
MFCD08458185
IUPAC Name:
1-ethyl-3-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI:
InChI=1S/C16H25BN2O4/c1-7-18-14(20)19-12-9-8-11(10-13(12)21-6)17-22-15(2,3)16(4,5)23-17/h8-10H,7H2,1-6H3,(H2,18,19,20)
InChI Key:
OLBPVFHOZBPMJU-UHFFFAOYSA-N
SMILES:
CCNC(=O)Nc1ccc(cc1OC)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.191g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.196g/mol
Monoisotopic Mass:
320.191g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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