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Home > Boronic Acids > 1167437-28-6
1167437-28-6 | Boronic acid, B-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-
CAS No: 1167437-28-6 Catalog No: AG000D5Q MDL No:MFCD12964588
Product Description
Catalog Number:
AG000D5Q
Chemical Name:
Boronic acid, B-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-
CAS Number:
1167437-28-6
Molecular Formula:
C6H4BClF3NO2
Molecular Weight:
225.3607
MDL Number:
MFCD12964588
IUPAC Name:
[2-chloro-5-(trifluoromethyl)pyridin-4-yl]boronic acid
InChI:
InChI=1S/C6H4BClF3NO2/c8-5-1-4(7(13)14)3(2-12-5)6(9,10)11/h1-2,13-14H
InChI Key:
GBNMDZQANRHEDY-UHFFFAOYSA-N
SMILES:
Clc1ncc(c(c1)B(O)O)C(F)(F)F
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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