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Home > Boronic Acids > 536693-96-6
536693-96-6 | 2-chloro-5-(trifluoromethyl)pyridine-3-boronic acid
CAS No: 536693-96-6 Catalog No: AG00DACW MDL No:MFCD10696241
Product Description
Catalog Number:
AG00DACW
Chemical Name:
2-chloro-5-(trifluoromethyl)pyridine-3-boronic acid
CAS Number:
536693-96-6
Molecular Formula:
C6H4BClF3NO2
Molecular Weight:
225.3607
MDL Number:
MFCD10696241
IUPAC Name:
[2-chloro-5-(trifluoromethyl)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C6H4BClF3NO2/c8-5-4(7(13)14)1-3(2-12-5)6(9,10)11/h1-2,13-14H
InChI Key:
OJUNKVOTAZHNAL-UHFFFAOYSA-N
SMILES:
OB(c1cc(cnc1Cl)C(F)(F)F)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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