Home Other Building Blocks 3-fluoro-4-(pyridin-4-yl)benzoic acid

3-fluoro-4-(pyridin-4-yl)benzoic acid

CAS No.:
1214359-83-7
Catalog Number:
AG01C1VS
Molecular Formula:
C12H8FNO2
Molecular Weight:
217.1958
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Product Description
Catalog Number:
AG01C1VS
Chemical Name:
3-fluoro-4-(pyridin-4-yl)benzoic acid
CAS Number:
1214359-83-7
Molecular Formula:
C12H8FNO2
Molecular Weight:
217.1958
MDL Number:
MFCD15475472
IUPAC Name:
3-fluoro-4-pyridin-4-ylbenzoic acid
InChI:
InChI=1S/C12H8FNO2/c13-11-7-9(12(15)16)1-2-10(11)8-3-5-14-6-4-8/h1-7H,(H,15,16)
InChI Key:
VAHXOHHQHVUNQS-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1c1ccncc1)C(=O)O
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.054g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.199g/mol
Monoisotopic Mass:
217.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties