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Home > Boronic Acids > 957062-66-7
957062-66-7 | (3-Hydroxy-5-(trifluoromethyl)phenyl)boronic acid
CAS No: 957062-66-7 Catalog No: AG00H83P MDL No:MFCD09878337
Product Description
Catalog Number:
AG00H83P
Chemical Name:
(3-Hydroxy-5-(trifluoromethyl)phenyl)boronic acid
CAS Number:
957062-66-7
Molecular Formula:
C7H6BF3O3
Molecular Weight:
205.9269
MDL Number:
MFCD09878337
IUPAC Name:
[3-hydroxy-5-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H6BF3O3/c9-7(10,11)4-1-5(8(13)14)3-6(12)2-4/h1-3,12-14H
InChI Key:
KHBHZULNSZTOAL-UHFFFAOYSA-N
SMILES:
Oc1cc(cc(c1)C(F)(F)F)B(O)O
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
205.927g/mol
Monoisotopic Mass:
206.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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