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Home > Boronic Acids > 1454301-73-5
1454301-73-5 | [6-(trifluoromethyl)-1H-indazol-4-yl]boronic acid
CAS No: 1454301-73-5 Catalog No: AG00IKP7 MDL No:
Product Description
Catalog Number:
AG00IKP7
Chemical Name:
[6-(trifluoromethyl)-1H-indazol-4-yl]boronic acid
CAS Number:
1454301-73-5
Molecular Formula:
C8H6BF3N2O2
Molecular Weight:
229.9516
IUPAC Name:
[6-(trifluoromethyl)-1H-indazol-4-yl]boronic acid
InChI:
InChI=1S/C8H6BF3N2O2/c10-8(11,12)4-1-6(9(15)16)5-3-13-14-7(5)2-4/h1-3,15-16H,(H,13,14)
InChI Key:
KFJGOORLTCAMIA-UHFFFAOYSA-N
SMILES:
OB(c1cc(cc2c1cn[nH]2)C(F)(F)F)O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.047g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
229.953g/mol
Monoisotopic Mass:
230.047g/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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