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Home Other Building Blocks 2-fluoro-5-(1H-1,2,3-triazol-1-yl)benzoic acid

2-fluoro-5-(1H-1,2,3-triazol-1-yl)benzoic acid

CAS No.:
1620655-87-9
Catalog Number:
AG01C369
Molecular Formula:
C9H6FN3O2
Molecular Weight:
207.1612
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Product Description
Catalog Number:
AG01C369
Chemical Name:
2-fluoro-5-(1H-1,2,3-triazol-1-yl)benzoic acid
CAS Number:
1620655-87-9
Molecular Formula:
C9H6FN3O2
Molecular Weight:
207.1612
MDL Number:
MFCD28527867
IUPAC Name:
2-fluoro-5-(triazol-1-yl)benzoic acid
InChI:
InChI=1S/C9H6FN3O2/c10-8-2-1-6(5-7(8)9(14)15)13-4-3-11-12-13/h1-5H,(H,14,15)
InChI Key:
HAJKUXLKMPOBBR-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1F)n1nncc1
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.044g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.164g/mol
Monoisotopic Mass:
207.044g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties