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957060-90-1

957060-90-1 | 2-(2,2,2-TRIFLUOROETHOXY)PHENYLBORONIC ACID

CAS No: 957060-90-1 Catalog No: AG00H840 MDL No:MFCD09027258

Product Description

Catalog Number:
AG00H840
Chemical Name:
2-(2,2,2-TRIFLUOROETHOXY)PHENYLBORONIC ACID
CAS Number:
957060-90-1
Molecular Formula:
C8H8BF3O3
Molecular Weight:
219.9535
MDL Number:
MFCD09027258
IUPAC Name:
[2-(2,2,2-trifluoroethoxy)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O3/c10-8(11,12)5-15-7-4-2-1-3-6(7)9(13)14/h1-4,13-14H,5H2
InChI Key:
IFWDRBWGMUCFMH-UHFFFAOYSA-N
SMILES:
OB(c1ccccc1OCC(F)(F)F)O

Properties

Complexity:
198  
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:
3  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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