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Home > Boronic Acids > 1021860-94-5
1021860-94-5 | Boronic acid, B-[4-methyl-2-(trifluoromethyl)phenyl]-
CAS No: 1021860-94-5 Catalog No: AG0006TP MDL No:MFCD11616521
Product Description
Catalog Number:
AG0006TP
Chemical Name:
Boronic acid, B-[4-methyl-2-(trifluoromethyl)phenyl]-
CAS Number:
1021860-94-5
Molecular Formula:
C8H8BF3O2
Molecular Weight:
203.9541
MDL Number:
MFCD11616521
IUPAC Name:
[4-methyl-2-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O2/c1-5-2-3-7(9(13)14)6(4-5)8(10,11)12/h2-4,13-14H,1H3
InChI Key:
KDOJXIIVCMNOSQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(F)(F)F)B(O)O
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.057g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.955g/mol
Monoisotopic Mass:
204.057g/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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