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101370-77-8 | 1H-Tetrazole, 4,5-dihydro-1,5,5-triphenyl-4-(phenylmethyl)-
CAS No: 101370-77-8 Catalog No: AG0004BB MDL No:
Product Description
Catalog Number:
AG0004BB
Chemical Name:
1H-Tetrazole, 4,5-dihydro-1,5,5-triphenyl-4-(phenylmethyl)-
CAS Number:
101370-77-8
Molecular Formula:
C26H22N4
Molecular Weight:
390.4797
IUPAC Name:
1-benzyl-4,5,5-triphenyltetrazole
InChI:
InChI=1S/C26H22N4/c1-5-13-22(14-6-1)21-29-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)30(28-27-29)25-19-11-4-12-20-25/h1-20H,21H2
InChI Key:
FOECCCBNEBRENJ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1N=NN(C1(c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.184g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.49g/mol
Monoisotopic Mass:
390.184g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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