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Home > Nitro Compounds > 16687-60-8
16687-60-8 | 2H-Tetrazole, 5-(4-nitrophenyl)-
CAS No: 16687-60-8 Catalog No: AG001WZG MDL No:MFCD00068729
Product Description
Catalog Number:
AG001WZG
Chemical Name:
2H-Tetrazole, 5-(4-nitrophenyl)-
CAS Number:
16687-60-8
Molecular Formula:
C7H5N5O2
Molecular Weight:
191.1469
MDL Number:
MFCD00068729
IUPAC Name:
5-(4-nitrophenyl)-2H-tetrazole
InChI:
InChI=1S/C7H5N5O2/c13-12(14)6-3-1-5(2-4-6)7-8-10-11-9-7/h1-4H,(H,8,9,10,11)
InChI Key:
MIUOBAHGBPSRKY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1n[nH]nn1
NSC Number:
141937
Properties
Complexity:
211
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:
1
Isotope Atom Count:
0
Molecular Weight:
191.15g/mol
Monoisotopic Mass:
191.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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