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Home > Boronic Acids > 957062-59-8
957062-59-8 | (4-(4-Fluoro-2-nitrophenoxy);phenyl);boronic acid
CAS No: 957062-59-8 Catalog No: AG00H83R MDL No:MFCD09800895
Product Description
Catalog Number:
AG00H83R
Chemical Name:
(4-(4-Fluoro-2-nitrophenoxy);phenyl);boronic acid
CAS Number:
957062-59-8
Molecular Formula:
C12H9BFNO5
Molecular Weight:
277.0130
MDL Number:
MFCD09800895
IUPAC Name:
[4-(4-fluoro-2-nitrophenoxy)phenyl]boronic acid
InChI:
InChI=1S/C12H9BFNO5/c14-9-3-6-12(11(7-9)15(18)19)20-10-4-1-8(2-5-10)13(16)17/h1-7,16-17H
InChI Key:
SAOPFWUHFIYTSV-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)[N+](=O)[O-])Oc1ccc(cc1)B(O)O
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.056g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.014g/mol
Monoisotopic Mass:
277.056g/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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