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Home > Boronic Acids > 1772622-44-2
1772622-44-2 | 2-Fluoro-5-methoxy-3-(trifluoromethyl)phenylboronic acid
CAS No: 1772622-44-2 Catalog No: AG00HZPL MDL No:MFCD20231436
Product Description
Catalog Number:
AG00HZPL
Chemical Name:
2-Fluoro-5-methoxy-3-(trifluoromethyl)phenylboronic acid
CAS Number:
1772622-44-2
Molecular Formula:
C8H7BF4O3
Molecular Weight:
237.9440
MDL Number:
MFCD20231436
IUPAC Name:
[2-fluoro-5-methoxy-3-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H7BF4O3/c1-16-4-2-5(8(11,12)13)7(10)6(3-4)9(14)15/h2-3,14-15H,1H3
InChI Key:
KNRIYRLAYXUQGX-UHFFFAOYSA-N
SMILES:
COc1cc(B(O)O)c(c(c1)C(F)(F)F)F
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.945g/mol
Monoisotopic Mass:
238.042g/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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