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Home > Boronic Acids > 1202054-12-3
1202054-12-3 | (5-(Trifluoromethyl);-1H-pyrazol-4-yl);boronic acid
CAS No: 1202054-12-3 Catalog No: AG0081B6 MDL No:MFCD07375369
Product Description
Catalog Number:
AG0081B6
Chemical Name:
(5-(Trifluoromethyl);-1H-pyrazol-4-yl);boronic acid
CAS Number:
1202054-12-3
Molecular Formula:
C4H4BF3N2O2
Molecular Weight:
179.8930
MDL Number:
MFCD07375369
IUPAC Name:
[5-(trifluoromethyl)-1H-pyrazol-4-yl]boronic acid
InChI:
InChI=1S/C4H4BF3N2O2/c6-4(7,8)3-2(5(11)12)1-9-10-3/h1,11-12H,(H,9,10)
InChI Key:
XJZGCUKCAPHOBU-UHFFFAOYSA-N
SMILES:
OB(c1cn[nH]c1C(F)(F)F)O
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.032g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
179.893g/mol
Monoisotopic Mass:
180.032g/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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