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116539-93-6 | Tetrazolo[1,5-a]pyrimidine, 7-azido-
CAS No: 116539-93-6 Catalog No: AG000CR2 MDL No:
Product Description
Catalog Number:
AG000CR2
Chemical Name:
Tetrazolo[1,5-a]pyrimidine, 7-azido-
CAS Number:
116539-93-6
Molecular Formula:
C4H2N8
Molecular Weight:
162.1123
IUPAC Name:
7-azidotetrazolo[1,5-a]pyrimidine
InChI:
InChI=1S/C4H2N8/c5-9-7-3-1-2-6-4-8-10-11-12(3)4/h1-2H
InChI Key:
VSVPXEBDKVBFLE-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccnc2n1nnn2
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.116g/mol
Monoisotopic Mass:
162.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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