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Home > Boronic Acids > 850033-39-5
850033-39-5 | Boronic acid,B-[2-methyl-4-(trifluoromethoxy)phenyl]-
CAS No: 850033-39-5 Catalog No: AG004U3D MDL No:MFCD09475816
Product Description
Catalog Number:
AG004U3D
Chemical Name:
Boronic acid,B-[2-methyl-4-(trifluoromethoxy)phenyl]-
CAS Number:
850033-39-5
Molecular Formula:
C8H8BF3O3
Molecular Weight:
219.9535
MDL Number:
MFCD09475816
IUPAC Name:
[2-methyl-4-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O3/c1-5-4-6(15-8(10,11)12)2-3-7(5)9(13)14/h2-4,13-14H,1H3
InChI Key:
VZNGQLGNHIYWOD-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1C)OC(F)(F)F)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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