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Home > Boronic Acids > 1310384-93-0
1310384-93-0 | Boronic acid, B-[5-(2,2,2-trifluoroacetyl)-3-pyridinyl]-
CAS No: 1310384-93-0 Catalog No: AG000VEL MDL No:MFCD07374541
Product Description
Catalog Number:
AG000VEL
Chemical Name:
Boronic acid, B-[5-(2,2,2-trifluoroacetyl)-3-pyridinyl]-
CAS Number:
1310384-93-0
Molecular Formula:
C7H5BF3NO3
Molecular Weight:
218.9257
MDL Number:
MFCD07374541
IUPAC Name:
[5-(2,2,2-trifluoroacetyl)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C7H5BF3NO3/c9-7(10,11)6(13)4-1-5(8(14)15)3-12-2-4/h1-3,14-15H
InChI Key:
CDXOOLIZHDAJLF-UHFFFAOYSA-N
SMILES:
OB(c1cncc(c1)C(=O)C(F)(F)F)O
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.926g/mol
Monoisotopic Mass:
219.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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