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Home > Boronic Acids > 874289-36-8
874289-36-8 | 4-BenzylcarbaMoyl-2-fluorobenzeneboronic acid, 97%
CAS No: 874289-36-8 Catalog No: AG00H0TD MDL No:
Product Description
Catalog Number:
AG00H0TD
Chemical Name:
4-BenzylcarbaMoyl-2-fluorobenzeneboronic acid, 97%
CAS Number:
874289-36-8
Molecular Formula:
C14H13BFNO3
Molecular Weight:
273.0673
IUPAC Name:
[4-(benzylcarbamoyl)-2-fluorophenyl]boronic acid
InChI:
InChI=1S/C14H13BFNO3/c16-13-8-11(6-7-12(13)15(19)20)14(18)17-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2,(H,17,18)
InChI Key:
QBFAVXFPISPUNY-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)F)B(O)O)NCc1ccccc1
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.097g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
273.07g/mol
Monoisotopic Mass:
273.097g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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