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Home > Boronic Acids > 1218790-73-8
1218790-73-8 | Boronic acid, B-[1-(methoxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]-
CAS No: 1218790-73-8 Catalog No: AG0016AK MDL No:MFCD15143477
Product Description
Catalog Number:
AG0016AK
Chemical Name:
Boronic acid, B-[1-(methoxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]-
CAS Number:
1218790-73-8
Molecular Formula:
C6H8BF3N2O3
Molecular Weight:
223.9455
MDL Number:
MFCD15143477
IUPAC Name:
[1-(methoxymethyl)-3-(trifluoromethyl)pyrazol-4-yl]boronic acid
InChI:
InChI=1S/C6H8BF3N2O3/c1-15-3-12-2-4(7(13)14)5(11-12)6(8,9)10/h2,13-14H,3H2,1H3
InChI Key:
RBAPGEYGJQXEFO-UHFFFAOYSA-N
SMILES:
COCn1cc(c(n1)C(F)(F)F)B(O)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.946g/mol
Monoisotopic Mass:
224.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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