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1256360-58-3 | Benzenemethanamine, N-cyclopropyl-4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1256360-58-3 Catalog No: AG000O8E MDL No:MFCD18087740
Product Description
Catalog Number:
AG000O8E
Chemical Name:
Benzenemethanamine, N-cyclopropyl-4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1256360-58-3
Molecular Formula:
C16H23BFNO2
Molecular Weight:
291.1687
MDL Number:
MFCD18087740
IUPAC Name:
N-[[4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclopropanamine
InChI:
InChI=1S/C16H23BFNO2/c1-15(2)16(3,4)21-17(20-15)14-9-12(18)6-5-11(14)10-19-13-7-8-13/h5-6,9,13,19H,7-8,10H2,1-4H3
InChI Key:
SORDLQAKANVQLH-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)CNC1CC1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.181g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.173g/mol
Monoisotopic Mass:
291.181g/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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