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1027643-30-6 | Benzothiazole, 2-(2-pyrrolidinyl)-, hydrochloride (1:1)
CAS No: 1027643-30-6 Catalog No: AG0008BD MDL No:MFCD04966888
Product Description
Catalog Number:
AG0008BD
Chemical Name:
Benzothiazole, 2-(2-pyrrolidinyl)-, hydrochloride (1:1)
CAS Number:
1027643-30-6
Molecular Formula:
C11H13ClN2S
Molecular Weight:
240.7523
MDL Number:
MFCD04966888
IUPAC Name:
2-pyrrolidin-2-yl-1,3-benzothiazole;hydrochloride
InChI:
InChI=1S/C11H12N2S.ClH/c1-2-6-10-8(4-1)13-11(14-10)9-5-3-7-12-9;/h1-2,4,6,9,12H,3,5,7H2;1H
InChI Key:
QGZFWPSLMFCWIL-UHFFFAOYSA-N
SMILES:
C1CNC(C1)c1nc2c(s1)cccc2.Cl
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.749g/mol
Monoisotopic Mass:
240.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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