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Home > Boronic Acids > 1072952-27-2
1072952-27-2 | (2,6-Difluoropyridin-3-yl)boronic acid hydrate
CAS No: 1072952-27-2 Catalog No: AG003BL7 MDL No:MFCD06657881
Product Description
Catalog Number:
AG003BL7
Chemical Name:
(2,6-Difluoropyridin-3-yl)boronic acid hydrate
CAS Number:
1072952-27-2
Molecular Formula:
C5H6BF2NO3
Molecular Weight:
176.9138
MDL Number:
MFCD06657881
IUPAC Name:
(2,6-difluoropyridin-3-yl)boronic acid;hydrate
InChI:
InChI=1S/C5H4BF2NO2.H2O/c7-4-2-1-3(6(10)11)5(8)9-4;/h1-2,10-11H;1H2
InChI Key:
UROAWUNJFURWIY-UHFFFAOYSA-N
SMILES:
OB(c1ccc(nc1F)F)O.O
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
176.914g/mol
Monoisotopic Mass:
177.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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