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819057-45-9 | 4-Amino-2-fluorophenylboronic acid pinacol ester
CAS No: 819057-45-9 Catalog No: AG0033W5 MDL No:MFCD09951877
Product Description
Catalog Number:
AG0033W5
Chemical Name:
4-Amino-2-fluorophenylboronic acid pinacol ester
CAS Number:
819057-45-9
Molecular Formula:
C12H17BFNO2
Molecular Weight:
237.0783
MDL Number:
MFCD09951877
IUPAC Name:
3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
InChI:
InChI=1S/C12H17BFNO2/c1-11(2)12(3,4)17-13(16-11)9-6-5-8(15)7-10(9)14/h5-7H,15H2,1-4H3
InChI Key:
FLMNWVXAEGUVNY-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.134g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.081g/mol
Monoisotopic Mass:
237.134g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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