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Home > Nitro Compounds > 76167-90-3
76167-90-3 | 5-(2-(2-NITROPHENOXY)ETHYL)-1H-TETRAZOLE
CAS No: 76167-90-3 Catalog No: AG005RO8 MDL No:
Product Description
Catalog Number:
AG005RO8
Chemical Name:
5-(2-(2-NITROPHENOXY)ETHYL)-1H-TETRAZOLE
CAS Number:
76167-90-3
Molecular Formula:
C9H9N5O3
Molecular Weight:
235.1995
IUPAC Name:
5-[2-(2-nitrophenoxy)ethyl]-2H-tetrazole
InChI:
InChI=1S/C9H9N5O3/c15-14(16)7-3-1-2-4-8(7)17-6-5-9-10-12-13-11-9/h1-4H,5-6H2,(H,10,11,12,13)
InChI Key:
RJQWLLRAEQUATL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1OCCc1nnn[nH]1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.071g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.203g/mol
Monoisotopic Mass:
235.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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