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Home > Nitro Compounds > 143805-50-9
143805-50-9 | 1H-Tetrazole, 5-(4'-methyl[1,1'-biphenyl]-2-yl)-1-(4-nitrophenyl)-
CAS No: 143805-50-9 Catalog No: AG001IE0 MDL No:
Product Description
Catalog Number:
AG001IE0
Chemical Name:
1H-Tetrazole, 5-(4'-methyl[1,1'-biphenyl]-2-yl)-1-(4-nitrophenyl)-
CAS Number:
143805-50-9
Molecular Formula:
C20H15N5O2
Molecular Weight:
357.3654
IUPAC Name:
5-[2-(4-methylphenyl)phenyl]-1-(4-nitrophenyl)tetrazole
InChI:
InChI=1S/C20H15N5O2/c1-14-6-8-15(9-7-14)18-4-2-3-5-19(18)20-21-22-23-24(20)16-10-12-17(13-11-16)25(26)27/h2-13H,1H3
InChI Key:
HJXMBHSONXGPBR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1ccccc1c1nnnn1c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.123g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.373g/mol
Monoisotopic Mass:
357.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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