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Home > Boronic Acids > 1150114-77-4
1150114-77-4 | Boronic acid, B-(4-cyano-2-fluorophenyl)-
CAS No: 1150114-77-4 Catalog No: AG000FN2 MDL No:MFCD07644472
Product Description
Catalog Number:
AG000FN2
Chemical Name:
Boronic acid, B-(4-cyano-2-fluorophenyl)-
CAS Number:
1150114-77-4
Molecular Formula:
C7H5BFNO2
Molecular Weight:
164.9295
MDL Number:
MFCD07644472
IUPAC Name:
(4-cyano-2-fluorophenyl)boronic acid
InChI:
InChI=1S/C7H5BFNO2/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-3,11-12H
InChI Key:
HFAUMAIVCYTVQR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)F)B(O)O
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.93g/mol
Monoisotopic Mass:
165.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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