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

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

CAS No.:
1247241-42-4
Catalog Number:
AG01DV3E
Molecular Formula:
C7H6FN5
Molecular Weight:
179.1544
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Product Description
Catalog Number:
AG01DV3E
Chemical Name:
3-fluoro-4-(1H-1,2,3,4-tetrazol-1-yl)aniline
CAS Number:
1247241-42-4
Molecular Formula:
C7H6FN5
Molecular Weight:
179.1544
MDL Number:
MFCD16074942
IUPAC Name:
3-fluoro-4-(tetrazol-1-yl)aniline
InChI:
InChI=1S/C7H6FN5/c8-6-3-5(9)1-2-7(6)13-4-10-11-12-13/h1-4H,9H2
InChI Key:
KEPYOHGQCARXKC-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)F)n1cnnn1
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:
1  
Isotope Atom Count:
0
Molecular Weight:
179.158g/mol
Monoisotopic Mass:
179.061g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties