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Home > Boronic Acids > 1451393-59-1
1451393-59-1 | 3-Hydroxymethyl-4-(trifluoromethoxy)phenylboronic acid
CAS No: 1451393-59-1 Catalog No: AG00HXDY MDL No:MFCD11856038
Product Description
Catalog Number:
AG00HXDY
Chemical Name:
3-Hydroxymethyl-4-(trifluoromethoxy)phenylboronic acid
CAS Number:
1451393-59-1
Molecular Formula:
C8H8BF3O4
Molecular Weight:
235.9529
MDL Number:
MFCD11856038
IUPAC Name:
[3-(hydroxymethyl)-4-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O4/c10-8(11,12)16-7-2-1-6(9(14)15)3-5(7)4-13/h1-3,13-15H,4H2
InChI Key:
HPVFPMGLKKFBIQ-UHFFFAOYSA-N
SMILES:
OCc1cc(ccc1OC(F)(F)F)B(O)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.047g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
235.953g/mol
Monoisotopic Mass:
236.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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