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Home > Boronic Acids > 408359-15-9
408359-15-9 | 4-Nitro-2-(trifluoroMethyl)phenylboronic acid
CAS No: 408359-15-9 Catalog No: AG00CLSU MDL No:MFCD22375010
Product Description
Catalog Number:
AG00CLSU
Chemical Name:
4-Nitro-2-(trifluoroMethyl)phenylboronic acid
CAS Number:
408359-15-9
Molecular Formula:
C7H5BF3NO4
Molecular Weight:
234.9251
MDL Number:
MFCD22375010
IUPAC Name:
[4-nitro-2-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H5BF3NO4/c9-7(10,11)5-3-4(12(15)16)1-2-6(5)8(13)14/h1-3,13-14H
InChI Key:
MBAPFNMGNZZWDX-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1C(F)(F)F)[N+](=O)[O-])O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.026g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.925g/mol
Monoisotopic Mass:
235.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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