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127868-60-4 | Benzothiazole, 2-[4-(1-pyrrolidinyl)phenyl]-
CAS No: 127868-60-4 Catalog No: AG000XHQ MDL No:
Product Description
Catalog Number:
AG000XHQ
Chemical Name:
Benzothiazole, 2-[4-(1-pyrrolidinyl)phenyl]-
CAS Number:
127868-60-4
Molecular Formula:
C17H16N2S
Molecular Weight:
280.3873
IUPAC Name:
2-(4-pyrrolidin-1-ylphenyl)-1,3-benzothiazole
InChI:
InChI=1S/C17H16N2S/c1-2-6-16-15(5-1)18-17(20-16)13-7-9-14(10-8-13)19-11-3-4-12-19/h1-2,5-10H,3-4,11-12H2
InChI Key:
XIBXHJZVEMYJKO-UHFFFAOYSA-N
SMILES:
C1CCN(C1)c1ccc(cc1)c1nc2c(s1)cccc2
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.389g/mol
Monoisotopic Mass:
280.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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