3-Thiophenecarbonitrile, 2-[(2-nitrophenyl)amino]-


Chemical Name: 3-Thiophenecarbonitrile, 2-[(2-nitrophenyl)amino]-
CAS Number: 186792-85-8
Product Number: AG00ADUM(AGN-PC-0JQ60B)
Synonyms:
MDL No:
Molecular Formula: C11H7N3O2S
Molecular Weight: 245.25718

Identification/Properties


Computed Properties
Molecular Weight:
245.256g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
245.026g/mol
Monoisotopic Mass:
245.026g/mol
Topological Polar Surface Area:
110A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
335
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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