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Home > Boronic Acids > 1253911-22-6
1253911-22-6 | Boronic acid, B-(5-fluoro-1H-indazol-6-yl)-
CAS No: 1253911-22-6 Catalog No: AG000NMA MDL No:MFCD18089821
Product Description
Catalog Number:
AG000NMA
Chemical Name:
Boronic acid, B-(5-fluoro-1H-indazol-6-yl)-
CAS Number:
1253911-22-6
Molecular Formula:
C7H6BFN2O2
Molecular Weight:
179.9441
MDL Number:
MFCD18089821
IUPAC Name:
(5-fluoro-1H-indazol-6-yl)boronic acid
InChI:
InChI=1S/C7H6BFN2O2/c9-6-1-4-3-10-11-7(4)2-5(6)8(12)13/h1-3,12-13H,(H,10,11)
InChI Key:
DLZXQAWSJNFDIC-UHFFFAOYSA-N
SMILES:
OB(c1cc2[nH]ncc2cc1F)O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
179.945g/mol
Monoisotopic Mass:
180.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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