2-Thiophenecarboxylic acid, 4-amino-5-chloro-, methyl ester


Chemical Name: 2-Thiophenecarboxylic acid, 4-amino-5-chloro-, methyl ester
CAS Number: 89499-44-5
Product Number: AG0087R4(AGN-PC-0JW602)
Synonyms:
MDL No:
Molecular Formula: C6H6ClNO2S
Molecular Weight: 191.6353

Identification/Properties


Computed Properties
Molecular Weight:
191.629g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
190.981g/mol
Monoisotopic Mass:
190.981g/mol
Topological Polar Surface Area:
80.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
167
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


Other Analytical Data


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