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Home > Boronic Acids > 240139-82-6
240139-82-6 | 2-METHOXY-5-TRIFLUOROMETHYLPHENYLBORONIC ACID
CAS No: 240139-82-6 Catalog No: AG00BCUB MDL No:MFCD04039222
Product Description
Catalog Number:
AG00BCUB
Chemical Name:
2-METHOXY-5-TRIFLUOROMETHYLPHENYLBORONIC ACID
CAS Number:
240139-82-6
Molecular Formula:
C8H8BF3O3
Molecular Weight:
219.9535
MDL Number:
MFCD04039222
IUPAC Name:
[2-methoxy-5-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O3/c1-15-7-3-2-5(8(10,11)12)4-6(7)9(13)14/h2-4,13-14H,1H3
InChI Key:
PXDQUMRSSQYJSX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1B(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:
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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