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Home > Boronic Acids > 1072952-32-9
1072952-32-9 | (4-(Trifluoromethyl)pyridin-3-yl)boronic acid hydrate
CAS No: 1072952-32-9 Catalog No: AG0038CD MDL No:MFCD06657909
Product Description
Catalog Number:
AG0038CD
Chemical Name:
(4-(Trifluoromethyl)pyridin-3-yl)boronic acid hydrate
CAS Number:
1072952-32-9
Molecular Formula:
C6H7BF3NO3
Molecular Weight:
208.9309
MDL Number:
MFCD06657909
IUPAC Name:
[4-(trifluoromethyl)pyridin-3-yl]boronic acid;hydrate
InChI:
InChI=1S/C6H5BF3NO2.H2O/c8-6(9,10)4-1-2-11-3-5(4)7(12)13;/h1-3,12-13H;1H2
InChI Key:
CKGIYHYJVBVRFH-UHFFFAOYSA-N
SMILES:
OB(c1cnccc1C(F)(F)F)O.O
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
208.931g/mol
Monoisotopic Mass:
209.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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