Home Aminos 5-amino-2-(1H-tetrazol-1-yl)benzoic acid

5-amino-2-(1H-tetrazol-1-yl)benzoic acid

CAS No.:
1339779-18-8
Catalog Number:
AG01C0GR
Molecular Formula:
C8H7N5O2
Molecular Weight:
205.1735
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Product Description
Catalog Number:
AG01C0GR
Chemical Name:
5-amino-2-(1H-tetrazol-1-yl)benzoic acid
CAS Number:
1339779-18-8
Molecular Formula:
C8H7N5O2
Molecular Weight:
205.1735
MDL Number:
MFCD18270838
IUPAC Name:
5-amino-2-(tetrazol-1-yl)benzoic acid
InChI:
InChI=1S/C8H7N5O2/c9-5-1-2-7(6(3-5)8(14)15)13-4-10-11-12-13/h1-4H,9H2,(H,14,15)
InChI Key:
IMMFVWXLLCVTCP-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)C(=O)O)n1cnnn1
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.06g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
205.177g/mol
Monoisotopic Mass:
205.06g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties