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874290-58-1 | (5-(((Benzyloxy);carbonyl);amino);-2-fluorophenyl);boronic acid
CAS No: 874290-58-1 Catalog No: AG003BXG MDL No:MFCD12913935
Product Description
Catalog Number:
AG003BXG
Chemical Name:
(5-(((Benzyloxy);carbonyl);amino);-2-fluorophenyl);boronic acid
CAS Number:
874290-58-1
Molecular Formula:
C14H13BFNO4
Molecular Weight:
289.0667
MDL Number:
MFCD12913935
IUPAC Name:
[2-fluoro-5-(phenylmethoxycarbonylamino)phenyl]boronic acid
InChI:
InChI=1S/C14H13BFNO4/c16-13-7-6-11(8-12(13)15(19)20)17-14(18)21-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2,(H,17,18)
InChI Key:
ZRPHZGSBDFAFOX-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c(c1)B(O)O)F)OCc1ccccc1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.092g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
289.069g/mol
Monoisotopic Mass:
289.092g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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