Home Other Building Blocks 2-fluoro-5-(1H-1,2,3,4-tetrazol-5-yl)aniline

2-fluoro-5-(1H-1,2,3,4-tetrazol-5-yl)aniline

CAS No.:
330841-34-4
Catalog Number:
AG01C2IY
Molecular Formula:
C7H6FN5
Molecular Weight:
179.1544
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Product Description
Catalog Number:
AG01C2IY
Chemical Name:
2-fluoro-5-(1H-1,2,3,4-tetrazol-5-yl)aniline
CAS Number:
330841-34-4
Molecular Formula:
C7H6FN5
Molecular Weight:
179.1544
MDL Number:
MFCD01446065
IUPAC Name:
2-fluoro-5-(2H-tetrazol-5-yl)aniline
InChI:
InChI=1S/C7H6FN5/c8-5-2-1-4(3-6(5)9)7-10-12-13-11-7/h1-3H,9H2,(H,10,11,12,13)
InChI Key:
SPFBMNKRQFPDGH-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1N)c1nnn[nH]1
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.061g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
179.158g/mol
Monoisotopic Mass:
179.061g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties