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143722-26-3 | 2H-Tetrazole, 5-(3-bromophenyl)-2-(triphenylmethyl)-
CAS No: 143722-26-3 Catalog No: AG001IAB MDL No:
Product Description
Catalog Number:
AG001IAB
Chemical Name:
2H-Tetrazole, 5-(3-bromophenyl)-2-(triphenylmethyl)-
CAS Number:
143722-26-3
Molecular Formula:
C26H19BrN4
Molecular Weight:
467.3599
IUPAC Name:
5-(3-bromophenyl)-2-trityltetrazole
InChI:
InChI=1S/C26H19BrN4/c27-24-18-10-11-20(19-24)25-28-30-31(29-25)26(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-19H
InChI Key:
LPLHXKBXUYIMDU-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)c1nnn(n1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.079g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
467.37g/mol
Monoisotopic Mass:
466.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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