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Home > Boronic Acids > 1256345-50-2
1256345-50-2 | Boronic acid, B-[5-(1-cyanocyclopropyl)-2-fluorophenyl]-
CAS No: 1256345-50-2 Catalog No: AG000O0F MDL No:MFCD17926483
Product Description
Catalog Number:
AG000O0F
Chemical Name:
Boronic acid, B-[5-(1-cyanocyclopropyl)-2-fluorophenyl]-
CAS Number:
1256345-50-2
Molecular Formula:
C10H9BFNO2
Molecular Weight:
204.9934
MDL Number:
MFCD17926483
IUPAC Name:
[5-(1-cyanocyclopropyl)-2-fluorophenyl]boronic acid
InChI:
InChI=1S/C10H9BFNO2/c12-9-2-1-7(5-8(9)11(14)15)10(6-13)3-4-10/h1-2,5,14-15H,3-4H2
InChI Key:
JKWXKJVCALEGGN-UHFFFAOYSA-N
SMILES:
N#CC1(CC1)c1ccc(c(c1)B(O)O)F
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.995g/mol
Monoisotopic Mass:
205.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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