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64909-91-7 | Benzothiazole, 2-(cyclopentylmethyl)- (9CI)
CAS No: 64909-91-7 Catalog No: AG00EHTB MDL No:
Product Description
Catalog Number:
AG00EHTB
Chemical Name:
Benzothiazole, 2-(cyclopentylmethyl)- (9CI)
CAS Number:
64909-91-7
IUPAC Name:
2-(cyclopentylmethyl)-1,3-benzothiazole
InChI:
InChI=1S/C13H15NS/c1-2-6-10(5-1)9-13-14-11-7-3-4-8-12(11)15-13/h3-4,7-8,10H,1-2,5-6,9H2
InChI Key:
KVMQUXDCISUHHV-UHFFFAOYSA-N
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.093g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.33g/mol
Monoisotopic Mass:
217.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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