Benzo[b]thiophene-2-carboxylic acid, 5-amino-, methyl ester


Chemical Name: Benzo[b]thiophene-2-carboxylic acid, 5-amino-, methyl ester
CAS Number: 20699-85-8
Product Number: AG002ISN(AGN-PC-0KLR3O)
Synonyms:
MDL No:
Molecular Formula: C10H9NO2S
Molecular Weight: 207.2490

Identification/Properties


Computed Properties
Molecular Weight:
207.247g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
207.035g/mol
Monoisotopic Mass:
207.035g/mol
Topological Polar Surface Area:
80.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
234
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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