Benzo[b]thiophene-3-carboxylic acid,2-[(chloroacetyl)amino]-4,5,6,7-tetrahydro-, ethyl ester


Chemical Name: Benzo[b]thiophene-3-carboxylic acid,2-[(chloroacetyl)amino]-4,5,6,7-tetrahydro-, ethyl ester
CAS Number: 60442-41-3
Product Number: AG003Q2S(AGN-PC-0SW5PD)
Synonyms:
MDL No:
Molecular Formula: C13H16ClNO3S
Molecular Weight: 301.7890

Identification/Properties


Computed Properties
Molecular Weight:
301.785g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
301.054g/mol
Monoisotopic Mass:
301.054g/mol
Topological Polar Surface Area:
83.6A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
353
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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