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1218790-46-5 | 2-Furanmethanamine, N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylene]-
CAS No: 1218790-46-5 Catalog No: AG00169V MDL No:MFCD11113038
Product Description
Catalog Number:
AG00169V
Chemical Name:
2-Furanmethanamine, N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylene]-
CAS Number:
1218790-46-5
Molecular Formula:
C18H22BNO3
Molecular Weight:
311.1832
MDL Number:
MFCD11113038
IUPAC Name:
N-(furan-2-ylmethyl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine
InChI:
InChI=1S/C18H22BNO3/c1-17(2)18(3,4)23-19(22-17)15-9-7-14(8-10-15)12-20-13-16-6-5-11-21-16/h5-12H,13H2,1-4H3
InChI Key:
IIAOBOBJQMILAT-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)C=NCc1ccco1
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.169g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.188g/mol
Monoisotopic Mass:
311.169g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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