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1256360-59-4 | Benzenemethanamine, 4-fluoro-N-propyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1256360-59-4 Catalog No: AG000O8D MDL No:MFCD18087741
Product Description
Catalog Number:
AG000O8D
Chemical Name:
Benzenemethanamine, 4-fluoro-N-propyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1256360-59-4
Molecular Formula:
C16H25BFNO2
Molecular Weight:
293.1846
MDL Number:
MFCD18087741
IUPAC Name:
N-[[4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine
InChI:
InChI=1S/C16H25BFNO2/c1-6-9-19-11-12-7-8-13(18)10-14(12)17-20-15(2,3)16(4,5)21-17/h7-8,10,19H,6,9,11H2,1-5H3
InChI Key:
YIUAXEAMKCUMFH-UHFFFAOYSA-N
SMILES:
CCCNCc1ccc(cc1B1OC(C(O1)(C)C)(C)C)F
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.196g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.189g/mol
Monoisotopic Mass:
293.196g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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