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Home > Boronic Acids > 1079402-45-1
1079402-45-1 | 5-Methyl-2-(trifluoromethoxy)phenylboronic acid
CAS No: 1079402-45-1 Catalog No: AG00HB20 MDL No:MFCD18399838
Product Description
Catalog Number:
AG00HB20
Chemical Name:
5-Methyl-2-(trifluoromethoxy)phenylboronic acid
CAS Number:
1079402-45-1
Molecular Formula:
C8H8BF3O3
Molecular Weight:
219.9535
MDL Number:
MFCD18399838
IUPAC Name:
[5-methyl-2-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O3/c1-5-2-3-7(15-8(10,11)12)6(4-5)9(13)14/h2-4,13-14H,1H3
InChI Key:
WEJLNXRODGEOBW-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)B(O)O)OC(F)(F)F
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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