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Home > Boronic Acids > 1072945-94-8
1072945-94-8 | (3-(2-Nitro-4-(trifluoromethyl);phenoxy);phenyl);boronic acid
CAS No: 1072945-94-8 Catalog No: AG007WON MDL No:MFCD09972104
Product Description
Catalog Number:
AG007WON
Chemical Name:
(3-(2-Nitro-4-(trifluoromethyl);phenoxy);phenyl);boronic acid
CAS Number:
1072945-94-8
Molecular Formula:
C13H9BF3NO5
Molecular Weight:
327.0205
MDL Number:
MFCD09972104
IUPAC Name:
[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H9BF3NO5/c15-13(16,17)8-4-5-12(11(6-8)18(21)22)23-10-3-1-2-9(7-10)14(19)20/h1-7,19-20H
InChI Key:
UYSSHRQLWIRFRP-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)O
Properties
Complexity:
417
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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