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Home > Boronic Acids > 957062-58-7
957062-58-7 | (4-(2-Nitro-4-(trifluoromethyl)phenoxy)phenyl)boronic acid
CAS No: 957062-58-7 Catalog No: AG005YVN MDL No:MFCD09800896
Product Description
Catalog Number:
AG005YVN
Chemical Name:
(4-(2-Nitro-4-(trifluoromethyl)phenoxy)phenyl)boronic acid
CAS Number:
957062-58-7
Molecular Formula:
C13H9BF3NO5
Molecular Weight:
327.0205
MDL Number:
MFCD09800896
IUPAC Name:
[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H9BF3NO5/c15-13(16,17)8-1-6-12(11(7-8)18(21)22)23-10-4-2-9(3-5-10)14(19)20/h1-7,19-20H
InChI Key:
LRLZDRJPJDCDMH-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)O
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.053g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
327.022g/mol
Monoisotopic Mass:
327.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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