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21135-12-6 | Ethanone, 1-(5-phenyl-2H-tetrazol-2-yl)-
CAS No: 21135-12-6 Catalog No: AG002LBF MDL No:
Product Description
Catalog Number:
AG002LBF
Chemical Name:
Ethanone, 1-(5-phenyl-2H-tetrazol-2-yl)-
CAS Number:
21135-12-6
Molecular Formula:
C9H8N4O
Molecular Weight:
188.1860
IUPAC Name:
1-(5-phenyltetrazol-2-yl)ethanone
InChI:
InChI=1S/C9H8N4O/c1-7(14)13-11-9(10-12-13)8-5-3-2-4-6-8/h2-6H,1H3
InChI Key:
YOJISFVXJZLEKA-UHFFFAOYSA-N
SMILES:
CC(=O)n1nnc(n1)c1ccccc1
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.07g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.19g/mol
Monoisotopic Mass:
188.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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