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Home > Boronic Acids > 874459-90-2
874459-90-2 | (4-((2,2,2-Trifluoroethyl)carbamoyl)phenyl)boronic acid
CAS No: 874459-90-2 Catalog No: AG004FUL MDL No:MFCD08235087
Product Description
Catalog Number:
AG004FUL
Chemical Name:
(4-((2,2,2-Trifluoroethyl)carbamoyl)phenyl)boronic acid
CAS Number:
874459-90-2
Molecular Formula:
C9H9BF3NO3
Molecular Weight:
246.9789
MDL Number:
MFCD08235087
IUPAC Name:
[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C9H9BF3NO3/c11-9(12,13)5-14-8(15)6-1-3-7(4-2-6)10(16)17/h1-4,16-17H,5H2,(H,14,15)
InChI Key:
CYGVESRZZZTBOI-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(=O)NCC(F)(F)F)O
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
246.98g/mol
Monoisotopic Mass:
247.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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