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Home > Boronic Acids > 871362-79-7
871362-79-7 | (3-Methyl-4-(trifluoromethoxy)phenyl)boronic acid
CAS No: 871362-79-7 Catalog No: AG008FB2 MDL No:MFCD11504858
Product Description
Catalog Number:
AG008FB2
Chemical Name:
(3-Methyl-4-(trifluoromethoxy)phenyl)boronic acid
CAS Number:
871362-79-7
Molecular Formula:
C8H8BF3O3
Molecular Weight:
219.9535
MDL Number:
MFCD11504858
IUPAC Name:
[3-methyl-4-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O3/c1-5-4-6(9(13)14)2-3-7(5)15-8(10,11)12/h2-4,13-14H,1H3
InChI Key:
SSYRQCUQKJTPDJ-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1OC(F)(F)F)B(O)O
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.954g/mol
Monoisotopic Mass:
220.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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