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Home > Boronic Acids > 876601-43-3
876601-43-3 | (2-Cyano-4-fluorophenyl);boronic acid
CAS No: 876601-43-3 Catalog No: AG008E42 MDL No:MFCD12546526
Product Description
Catalog Number:
AG008E42
Chemical Name:
(2-Cyano-4-fluorophenyl);boronic acid
CAS Number:
876601-43-3
Molecular Formula:
C7H5BFNO2
Molecular Weight:
164.9295
MDL Number:
MFCD12546526
IUPAC Name:
(2-cyano-4-fluorophenyl)boronic acid
InChI:
InChI=1S/C7H5BFNO2/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-3,11-12H
InChI Key:
TZAYQOISLSBMIP-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)ccc1B(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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