(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(4-chloro-3,5-ditritiophenyl)methanone


Chemical Name: (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(4-chloro-3,5-ditritiophenyl)methanone
CAS Number: 40312-34-3
Product Number: AG00D6FL(AGN-PC-0760CJ)
Synonyms:
MDL No:
Molecular Formula: C15H14ClNOS
Molecular Weight: 291.7958

Identification/Properties


Computed Properties
Molecular Weight:
291.793g/mol
XLogP3:
5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
291.048g/mol
Monoisotopic Mass:
291.048g/mol
Topological Polar Surface Area:
71.3A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
343
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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