3-(1,3-THIAZOL-4-YL)ANILINE


Chemical Name: 3-(1,3-THIAZOL-4-YL)ANILINE
CAS Number: 134812-28-5
Product Number: AG00A8HE(AGN-PC-0WB3EN)
Synonyms:
MDL No:
Molecular Formula: C9H8N2S
Molecular Weight: 176.2382

Identification/Properties


Computed Properties
Molecular Weight:
176.237g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
176.041g/mol
Monoisotopic Mass:
176.041g/mol
Topological Polar Surface Area:
67.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
152
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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