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Home > Boronic Acids > 850568-73-9
850568-73-9 | (3-Chloro-4-fluoro-5-nitrophenyl);boronic acid
CAS No: 850568-73-9 Catalog No: AG003J7X MDL No:MFCD06659837
Product Description
Catalog Number:
AG003J7X
Chemical Name:
(3-Chloro-4-fluoro-5-nitrophenyl);boronic acid
CAS Number:
850568-73-9
Molecular Formula:
C6H4BClFNO4
Molecular Weight:
219.3627
MDL Number:
MFCD06659837
IUPAC Name:
(3-chloro-4-fluoro-5-nitrophenyl)boronic acid
InChI:
InChI=1S/C6H4BClFNO4/c8-4-1-3(7(11)12)2-5(6(4)9)10(13)14/h1-2,11-12H
InChI Key:
FSLZXVIDAWGPGT-UHFFFAOYSA-N
SMILES:
OB(c1cc(Cl)c(c(c1)[N+](=O)[O-])F)O
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.991g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.359g/mol
Monoisotopic Mass:
218.991g/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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