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1105195-29-6,MFCD16653064
Catalog No.:AA01AQE7
1105195-29-6 | 5-AMINO-1-(3-FLUOROPHENYL)-1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE
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Technical Information
Catalog Number:
AA01AQE7
Chemical Name:
5-AMINO-1-(3-FLUOROPHENYL)-1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE
CAS Number:
1105195-29-6
Molecular Formula:
C9H8FN5O
Molecular Weight:
221.1911
MDL Number:
MFCD16653064
IUPAC Name:
5-amino-1-(3-fluorophenyl)triazole-4-carboxamide
InChI:
InChI=1S/C9H8FN5O/c10-5-2-1-3-6(4-5)15-8(11)7(9(12)16)13-14-15/h1-4H,11H2,(H2,12,16)
InChI Key:
WFLACHNVWAXVES-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)n1nnc(c1N)C(=O)N
Properties
Computed Properties
 
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.071g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.195g/mol
Monoisotopic Mass:
221.071g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Synonyms
 
5-Amino-1-(3-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide 
1105195-29-6 
ZINC26422897 
AKOS005208350 
MCULE-8817620077 
EN300-236898 
L-3499 
F2147-0358 
5-amino-1-(3-fluorophenyl)-1,2,3-triazole-4-carboxamide 
Literature
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