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138000-84-7 | 1,2,5-Oxadiazol-3-amine, 4-(2H-tetrazol-2-ylmethyl)-
CAS No: 138000-84-7 Catalog No: AG0017U0 MDL No:
Product Description
Catalog Number:
AG0017U0
Chemical Name:
1,2,5-Oxadiazol-3-amine, 4-(2H-tetrazol-2-ylmethyl)-
CAS Number:
138000-84-7
Molecular Formula:
C4H5N7O
Molecular Weight:
167.1288
IUPAC Name:
4-(tetrazol-2-ylmethyl)-1,2,5-oxadiazol-3-amine
InChI:
InChI=1S/C4H5N7O/c5-4-3(8-12-9-4)1-11-7-2-6-10-11/h2H,1H2,(H2,5,9)
InChI Key:
KMJLHLOLWOZFMA-UHFFFAOYSA-N
SMILES:
Nc1nonc1Cn1nncn1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.132g/mol
Monoisotopic Mass:
167.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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