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1259285-59-0 | N-(4-fluorobenzyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CAS No: 1259285-59-0 Catalog No: AG01FFYI MDL No:
Product Description
Catalog Number:
AG01FFYI
Chemical Name:
N-(4-fluorobenzyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CAS Number:
1259285-59-0
Molecular Formula:
C19H23BFNO2
Molecular Weight:
327.2008
IUPAC Name:
N-[(4-fluorophenyl)methyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
InChI:
InChI=1S/C19H23BFNO2/c1-18(2)19(3,4)24-20(23-18)15-6-5-7-17(12-15)22-13-14-8-10-16(21)11-9-14/h5-12,22H,13H2,1-4H3
InChI Key:
PGDIEPGSBRVPRO-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)CNc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.181g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.206g/mol
Monoisotopic Mass:
327.181g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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