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Home > Boronic Acids > 1009303-56-3
1009303-56-3 | Boronic acid, B-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]-
CAS No: 1009303-56-3 Catalog No: AG00037Z MDL No:MFCD13176533
Product Description
Catalog Number:
AG00037Z
Chemical Name:
Boronic acid, B-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]-
CAS Number:
1009303-56-3
Molecular Formula:
C7H6BFN4O2
Molecular Weight:
207.9575
MDL Number:
MFCD13176533
IUPAC Name:
[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]boronic acid
InChI:
InChI=1S/C7H6BFN4O2/c9-6-2-1-4(8(14)15)3-5(6)7-10-12-13-11-7/h1-3,14-15H,(H,10,11,12,13)
InChI Key:
FELFJHZMQYCKPT-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1c1n[nH]nn1)B(O)O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
207.959g/mol
Monoisotopic Mass:
208.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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