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Home > Boronic Acids > 1629148-48-6
1629148-48-6 | 2-(Hydroxymethyl)-4-(trifluoromethyl)phenylboronic acid
CAS No: 1629148-48-6 Catalog No: AG00HYT5 MDL No:MFCD22574938
Product Description
Catalog Number:
AG00HYT5
Chemical Name:
2-(Hydroxymethyl)-4-(trifluoromethyl)phenylboronic acid
CAS Number:
1629148-48-6
Molecular Formula:
C8H8BF3O3
Molecular Weight:
219.9535
MDL Number:
MFCD22574938
IUPAC Name:
[2-(hydroxymethyl)-4-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O3/c10-8(11,12)6-1-2-7(9(14)15)5(3-6)4-13/h1-3,13-15H,4H2
InChI Key:
QJZJYNDNLGOFFZ-UHFFFAOYSA-N
SMILES:
OCc1cc(ccc1B(O)O)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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