2-pyrrolidin-2-yl-1,3-benzothiazole;hydrochloride


Chemical Name: 2-pyrrolidin-2-yl-1,3-benzothiazole;hydrochloride
CAS Number: 1027643-30-6
Product Number: AG0008BD(AGN-PC-00Z2V9)
Synonyms:
MDL No:
Molecular Formula: C11H13ClN2S
Molecular Weight: 240.7523

Identification/Properties


Computed Properties
Molecular Weight:
240.749g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
240.049g/mol
Monoisotopic Mass:
240.049g/mol
Topological Polar Surface Area:
53.2A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
210
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
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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