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Home > Boronic Acids > 1329171-65-4
1329171-65-4 | 5-Fluoro-2-nitrobenzeneboronic acid
CAS No: 1329171-65-4 Catalog No: AG00A11W MDL No:MFCD09037802
Product Description
Catalog Number:
AG00A11W
Chemical Name:
5-Fluoro-2-nitrobenzeneboronic acid
CAS Number:
1329171-65-4
Molecular Formula:
C6H5BFNO4
Molecular Weight:
184.9176
MDL Number:
MFCD09037802
IUPAC Name:
(5-fluoro-2-nitrophenyl)boronic acid
InChI:
InChI=1S/C6H5BFNO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3,10-11H
InChI Key:
LCQRDFNZZCPGOO-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)B(O)O)[N+](=O)[O-]
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.917g/mol
Monoisotopic Mass:
185.03g/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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