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Home > Boronic Acids > 174671-50-2
174671-50-2 | 2,1-Benzoxaborole, 1,3-dihydro-1-hydroxy-5-(trifluoromethyl)-
CAS No: 174671-50-2 Catalog No: AG001ZVN MDL No:MFCD10699482
Product Description
Catalog Number:
AG001ZVN
Chemical Name:
2,1-Benzoxaborole, 1,3-dihydro-1-hydroxy-5-(trifluoromethyl)-
CAS Number:
174671-50-2
Molecular Formula:
C8H6BF3O2
Molecular Weight:
201.9382
MDL Number:
MFCD10699482
IUPAC Name:
[2-(hydroxymethyl)-5-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O3/c10-8(11,12)6-2-1-5(4-13)7(3-6)9(14)15/h1-3,13-15H,4H2
InChI Key:
CNGXBTLEDCBQAY-UHFFFAOYSA-N
SMILES:
OB1OCc2c1ccc(c2)C(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:
3
Isotope Atom Count:
0
Molecular Weight:
219.954g/mol
Monoisotopic Mass:
220.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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