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Home > Nitro Compounds > 14213-27-5
14213-27-5 | 1H-Tetrazole, 5-(4-nitrophenyl)-1-phenyl-
CAS No: 14213-27-5 Catalog No: AG001HU9 MDL No:
Product Description
Catalog Number:
AG001HU9
Chemical Name:
1H-Tetrazole, 5-(4-nitrophenyl)-1-phenyl-
CAS Number:
14213-27-5
Molecular Formula:
C13H9N5O2
Molecular Weight:
267.2429
IUPAC Name:
5-(4-nitrophenyl)-1-phenyltetrazole
InChI:
InChI=1S/C13H9N5O2/c19-18(20)12-8-6-10(7-9-12)13-14-15-16-17(13)11-4-2-1-3-5-11/h1-9H
InChI Key:
IOLDWWUVEIYATK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1nnnn1c1ccccc1
NSC Number:
23246
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.076g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.248g/mol
Monoisotopic Mass:
267.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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