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101370-75-6 | 1H-Tetrazole, 4,5-dihydro-1-methyl-5,5-diphenyl-4-(phenylmethyl)-
CAS No: 101370-75-6 Catalog No: AG0004BC MDL No:
Product Description
Catalog Number:
AG0004BC
Chemical Name:
1H-Tetrazole, 4,5-dihydro-1-methyl-5,5-diphenyl-4-(phenylmethyl)-
CAS Number:
101370-75-6
Molecular Formula:
C21H20N4
Molecular Weight:
328.4103
IUPAC Name:
1-benzyl-4-methyl-5,5-diphenyltetrazole
InChI:
InChI=1S/C21H20N4/c1-24-21(19-13-7-3-8-14-19,20-15-9-4-10-16-20)25(23-22-24)17-18-11-5-2-6-12-18/h2-16H,17H2,1H3
InChI Key:
WRDSPBRIQVSIHJ-UHFFFAOYSA-N
SMILES:
CN1N=NN(C1(c1ccccc1)c1ccccc1)Cc1ccccc1
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.169g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.419g/mol
Monoisotopic Mass:
328.169g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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