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Home > Boronic Acids > 1029880-18-9
1029880-18-9 | (3-Fluoropyridin-4-yl);boronic acid hydrate
CAS No: 1029880-18-9 Catalog No: AG003JHT MDL No:MFCD03701686
Product Description
Catalog Number:
AG003JHT
Chemical Name:
(3-Fluoropyridin-4-yl);boronic acid hydrate
CAS Number:
1029880-18-9
Molecular Formula:
C5H7BFNO3
Molecular Weight:
158.9234
MDL Number:
MFCD03701686
IUPAC Name:
(3-fluoropyridin-4-yl)boronic acid;hydrate
InChI:
InChI=1S/C5H5BFNO2.H2O/c7-5-3-8-2-1-4(5)6(9)10;/h1-3,9-10H;1H2
InChI Key:
MESGEMIQUNLQHJ-UHFFFAOYSA-N
SMILES:
OB(c1ccncc1F)O.O
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.05g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
158.923g/mol
Monoisotopic Mass:
159.05g/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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