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Home > Nitro Compounds > 143908-96-7
143908-96-7 | 1H-Tetrazole, 5-ethyl-1-(4-nitrophenyl)-
CAS No: 143908-96-7 Catalog No: AG001ILT MDL No:
Product Description
Catalog Number:
AG001ILT
Chemical Name:
1H-Tetrazole, 5-ethyl-1-(4-nitrophenyl)-
CAS Number:
143908-96-7
Molecular Formula:
C9H9N5O2
Molecular Weight:
219.2001
IUPAC Name:
5-ethyl-1-(4-nitrophenyl)tetrazole
InChI:
InChI=1S/C9H9N5O2/c1-2-9-10-11-12-13(9)7-3-5-8(6-4-7)14(15)16/h3-6H,2H2,1H3
InChI Key:
MBKCUFASHFJHBI-UHFFFAOYSA-N
SMILES:
CCc1nnnn1c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.076g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.204g/mol
Monoisotopic Mass:
219.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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