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142142-75-4 | 2H-Tetrazole, 5-ethenyl-2-(phenylmethyl)-
CAS No: 142142-75-4 Catalog No: AG001HUT MDL No:
Product Description
Catalog Number:
AG001HUT
Chemical Name:
2H-Tetrazole, 5-ethenyl-2-(phenylmethyl)-
CAS Number:
142142-75-4
Molecular Formula:
C10H10N4
Molecular Weight:
186.2132
IUPAC Name:
2-benzyl-5-ethenyltetrazole
InChI:
InChI=1S/C10H10N4/c1-2-10-11-13-14(12-10)8-9-6-4-3-5-7-9/h2-7H,1,8H2
InChI Key:
OCQNQZKXFDBWQA-UHFFFAOYSA-N
SMILES:
C=Cc1nnn(n1)Cc1ccccc1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.091g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.218g/mol
Monoisotopic Mass:
186.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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