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Home > Boronic Acids > 1218791-14-0
1218791-14-0 | Carbamic acid, N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, phenylmethyl ester
CAS No: 1218791-14-0 Catalog No: AG0016AV MDL No:MFCD13195751
Product Description
Catalog Number:
AG0016AV
Chemical Name:
Carbamic acid, N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, phenylmethyl ester
CAS Number:
1218791-14-0
Molecular Formula:
C20H23BFNO4
Molecular Weight:
371.2103
MDL Number:
MFCD13195751
IUPAC Name:
benzyl N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
InChI:
InChI=1S/C20H23BFNO4/c1-19(2)20(3,4)27-21(26-19)15-10-11-17(16(22)12-15)23-18(24)25-13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3,(H,23,24)
InChI Key:
QKDGXLSSQTZUCQ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1F)B1OC(C(O1)(C)C)(C)C)OCc1ccccc1
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.17g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
371.215g/mol
Monoisotopic Mass:
371.17g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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