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Home > Boronic Acids > 1460307-63-4
1460307-63-4 | [3-(Cyanomethyl)-5-fluorophenyl]boronic acid
CAS No: 1460307-63-4 Catalog No: AG00HXH2 MDL No:MFCD27935531
Product Description
Catalog Number:
AG00HXH2
Chemical Name:
[3-(Cyanomethyl)-5-fluorophenyl]boronic acid
CAS Number:
1460307-63-4
Molecular Formula:
C8H7BFNO2
Molecular Weight:
178.9561
MDL Number:
MFCD27935531
IUPAC Name:
[3-(cyanomethyl)-5-fluorophenyl]boronic acid
InChI:
InChI=1S/C8H7BFNO2/c10-8-4-6(1-2-11)3-7(5-8)9(12)13/h3-5,12-13H,1H2
InChI Key:
GUYJMBDNASHBAR-UHFFFAOYSA-N
SMILES:
N#CCc1cc(cc(c1)F)B(O)O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.055g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.957g/mol
Monoisotopic Mass:
179.055g/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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