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117007-81-5 | 1H-Pyrazole-4-carbonitrile, 1-(azidomethyl)-3-phenyl-
CAS No: 117007-81-5 Catalog No: AG000DJY MDL No:
Product Description
Catalog Number:
AG000DJY
Chemical Name:
1H-Pyrazole-4-carbonitrile, 1-(azidomethyl)-3-phenyl-
CAS Number:
117007-81-5
Molecular Formula:
C11H8N6
Molecular Weight:
224.2214
IUPAC Name:
1-(azidomethyl)-3-phenylpyrazole-4-carbonitrile
InChI:
InChI=1S/C11H8N6/c12-6-10-7-17(8-14-16-13)15-11(10)9-4-2-1-3-5-9/h1-5,7H,8H2
InChI Key:
HXWICAKROIAOEL-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCn1cc(c(n1)c1ccccc1)C#N
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.081g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.227g/mol
Monoisotopic Mass:
224.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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