6-Benzothiazolecarboxylic acid, 2-amino-, methyl ester


Chemical Name: 6-Benzothiazolecarboxylic acid, 2-amino-, methyl ester
CAS Number: 66947-92-0
Product Number: AG00FAOI(AGN-PC-0JWO4L)
Synonyms:
MDL No: MFCD00468672
Molecular Formula: C9H8N2O2S
Molecular Weight: 208.2370

Identification/Properties


Computed Properties
Molecular Weight:
208.235g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
208.031g/mol
Monoisotopic Mass:
208.031g/mol
Topological Polar Surface Area:
93.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
237
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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