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Home > Boronic Acids > 153254-09-2

153254-09-2

153254-09-2 | 2,4-Bis(trifluoromethyl)phenylboronic acid

CAS No: 153254-09-2 Catalog No: AG0037QQ MDL No:MFCD01631349

Product Description

Catalog Number:
AG0037QQ
Chemical Name:
2,4-Bis(trifluoromethyl)phenylboronic acid
CAS Number:
153254-09-2
Molecular Formula:
C8H5BF6O2
Molecular Weight:
257.9255
MDL Number:
MFCD01631349
IUPAC Name:
[2,4-bis(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H5BF6O2/c10-7(11,12)4-1-2-6(9(16)17)5(3-4)8(13,14)15/h1-3,16-17H
InChI Key:
WLYPBMBWKYALCG-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1C(F)(F)F)C(F)(F)F)O
EC Number:
604-892-8

Properties

Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.029g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
257.926g/mol
Monoisotopic Mass:
258.029g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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