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Home > Boronic Acids > 1217500-73-6
1217500-73-6 | Benzoic acid, 3-borono-5-fluoro-, 1-hydrazide
CAS No: 1217500-73-6 Catalog No: AG0015QZ MDL No:MFCD12025988
Product Description
Catalog Number:
AG0015QZ
Chemical Name:
Benzoic acid, 3-borono-5-fluoro-, 1-hydrazide
CAS Number:
1217500-73-6
Molecular Formula:
C7H8BFN2O3
Molecular Weight:
197.9594
MDL Number:
MFCD12025988
IUPAC Name:
[3-fluoro-5-(hydrazinecarbonyl)phenyl]boronic acid
InChI:
InChI=1S/C7H8BFN2O3/c9-6-2-4(7(12)11-10)1-5(3-6)8(13)14/h1-3,13-14H,10H2,(H,11,12)
InChI Key:
CXBZQIYJKSUQQQ-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cc(cc(c1)F)B(O)O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.061g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
197.96g/mol
Monoisotopic Mass:
198.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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