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Home > Nitro Compounds > 14213-10-6
14213-10-6 | 1H-Tetrazole, 1-(3-nitrophenyl)-
CAS No: 14213-10-6 Catalog No: AG001HUC MDL No:
Product Description
Catalog Number:
AG001HUC
Chemical Name:
1H-Tetrazole, 1-(3-nitrophenyl)-
CAS Number:
14213-10-6
Molecular Formula:
C7H5N5O2
Molecular Weight:
191.1469
IUPAC Name:
1-(3-nitrophenyl)tetrazole
InChI:
InChI=1S/C7H5N5O2/c13-12(14)7-3-1-2-6(4-7)11-5-8-9-10-11/h1-5H
InChI Key:
UJGJMZVYYVWKOY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)n1cnnn1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.044g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.15g/mol
Monoisotopic Mass:
191.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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