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Home > Boronic Acids > 1217500-88-3
1217500-88-3 | Boronic acid, B-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-
CAS No: 1217500-88-3 Catalog No: AG0015RZ MDL No:MFCD12546508
Product Description
Catalog Number:
AG0015RZ
Chemical Name:
Boronic acid, B-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-
CAS Number:
1217500-88-3
Molecular Formula:
C6H4BClF3NO2
Molecular Weight:
225.3607
MDL Number:
MFCD12546508
IUPAC Name:
[6-chloro-4-(trifluoromethyl)pyridin-2-yl]boronic acid
InChI:
InChI=1S/C6H4BClF3NO2/c8-5-2-3(6(9,10)11)1-4(12-5)7(13)14/h1-2,13-14H
InChI Key:
PNHZTPJCEYPRHE-UHFFFAOYSA-N
SMILES:
Clc1nc(cc(c1)C(F)(F)F)B(O)O
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.998g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.358g/mol
Monoisotopic Mass:
224.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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