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Home > Boronic Acids > 1072952-47-6
1072952-47-6 | 4-Borono-5-fluoronicotinic acid
CAS No: 1072952-47-6 Catalog No: AG007WI6 MDL No:MFCD07781195
Product Description
Catalog Number:
AG007WI6
Chemical Name:
4-Borono-5-fluoronicotinic acid
CAS Number:
1072952-47-6
Molecular Formula:
C6H5BFNO4
Molecular Weight:
184.9176
MDL Number:
MFCD07781195
IUPAC Name:
4-borono-5-fluoropyridine-3-carboxylic acid
InChI:
InChI=1S/C6H5BFNO4/c8-4-2-9-1-3(6(10)11)5(4)7(12)13/h1-2,12-13H,(H,10,11)
InChI Key:
YNASDKWZMQUBQV-UHFFFAOYSA-N
SMILES:
OB(c1c(F)cncc1C(=O)O)O
Properties
Complexity:
203
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:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
184.917g/mol
Monoisotopic Mass:
185.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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