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Home > Boronic Acids > 957034-70-7
957034-70-7 | 4-(Cyclopentylcarbamoyl)-3-fluorophenylboronic acid
CAS No: 957034-70-7 Catalog No: AG0038IY MDL No:MFCD09475825
Product Description
Catalog Number:
AG0038IY
Chemical Name:
4-(Cyclopentylcarbamoyl)-3-fluorophenylboronic acid
CAS Number:
957034-70-7
Molecular Formula:
C12H15BFNO3
Molecular Weight:
251.0618
MDL Number:
MFCD09475825
IUPAC Name:
[4-(cyclopentylcarbamoyl)-3-fluorophenyl]boronic acid
InChI:
InChI=1S/C12H15BFNO3/c14-11-7-8(13(17)18)5-6-10(11)12(16)15-9-3-1-2-4-9/h5-7,9,17-18H,1-4H2,(H,15,16)
InChI Key:
SWBPFXPFINCJIN-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1F)B(O)O)NC1CCCC1
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.113g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
251.064g/mol
Monoisotopic Mass:
251.113g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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