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Home > Boronic Acids > 1072951-55-3
1072951-55-3 | (5-(Trifluoromethyl)quinolin-8-yl)boronic acid
CAS No: 1072951-55-3 Catalog No: AG003BXJ MDL No:MFCD11504856
Product Description
Catalog Number:
AG003BXJ
Chemical Name:
(5-(Trifluoromethyl)quinolin-8-yl)boronic acid
CAS Number:
1072951-55-3
Molecular Formula:
C10H7BF3NO2
Molecular Weight:
240.9743
MDL Number:
MFCD11504856
IUPAC Name:
[5-(trifluoromethyl)quinolin-8-yl]boronic acid
InChI:
InChI=1S/C10H7BF3NO2/c12-10(13,14)7-3-4-8(11(16)17)9-6(7)2-1-5-15-9/h1-5,16-17H
InChI Key:
LSVTVEGEWFIJQL-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c2c1nccc2)C(F)(F)F)O
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.976g/mol
Monoisotopic Mass:
241.052g/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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