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Home > Boronic Acids > 345226-20-2
345226-20-2 | 2-CHLORO-4-TRIFLUOROMETHOXYBENZENEBORONIC ACID
CAS No: 345226-20-2 Catalog No: AG00C0Z4 MDL No:MFCD11040272
Product Description
Catalog Number:
AG00C0Z4
Chemical Name:
2-CHLORO-4-TRIFLUOROMETHOXYBENZENEBORONIC ACID
CAS Number:
345226-20-2
Molecular Formula:
C7H5BClF3O3
Molecular Weight:
240.3720
MDL Number:
MFCD11040272
IUPAC Name:
[2-chloro-4-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C7H5BClF3O3/c9-6-3-4(15-7(10,11)12)1-2-5(6)8(13)14/h1-3,13-14H
InChI Key:
ISTQXKDCRJYPFJ-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1Cl)OC(F)(F)F)O
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.997g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.369g/mol
Monoisotopic Mass:
239.997g/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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