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Home > Boronic Acids > 957121-05-0
957121-05-0 | Boronic acid, B-(3-cyano-2-fluorophenyl)-
CAS No: 957121-05-0 Catalog No: AG00IJE8 MDL No:MFCD07374984
Product Description
Catalog Number:
AG00IJE8
Chemical Name:
Boronic acid, B-(3-cyano-2-fluorophenyl)-
CAS Number:
957121-05-0
Molecular Formula:
C7H5BFNO2
Molecular Weight:
164.9295
MDL Number:
MFCD07374984
IUPAC Name:
(3-cyano-2-fluorophenyl)boronic acid
InChI:
InChI=1S/C7H5BFNO2/c9-7-5(4-10)2-1-3-6(7)8(11)12/h1-3,11-12H
InChI Key:
HENIWPFEWBREIB-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1F)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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