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Home > Boronic Acids > 1256355-54-0
1256355-54-0 | Boronic acid, B-[2-(methoxymethoxy)-5-(trifluoromethyl)phenyl]-
CAS No: 1256355-54-0 Catalog No: AG000O45 MDL No:MFCD11856035
Product Description
Catalog Number:
AG000O45
Chemical Name:
Boronic acid, B-[2-(methoxymethoxy)-5-(trifluoromethyl)phenyl]-
CAS Number:
1256355-54-0
Molecular Formula:
C9H10BF3O4
Molecular Weight:
249.9795
MDL Number:
MFCD11856035
IUPAC Name:
[2-(methoxymethoxy)-5-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C9H10BF3O4/c1-16-5-17-8-3-2-6(9(11,12)13)4-7(8)10(14)15/h2-4,14-15H,5H2,1H3
InChI Key:
FHAJNPDIFPNNSA-UHFFFAOYSA-N
SMILES:
COCOc1ccc(cc1B(O)O)C(F)(F)F
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.98g/mol
Monoisotopic Mass:
250.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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