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1255099-27-4

1255099-27-4 | Benzothiazole, 2-(3-azetidinyl)-, hydrochloride (1:1)

CAS No: 1255099-27-4 Catalog No: AG000NSQ MDL No:

Product Description

Catalog Number:
AG000NSQ
Chemical Name:
Benzothiazole, 2-(3-azetidinyl)-, hydrochloride (1:1)
CAS Number:
1255099-27-4
Molecular Formula:
C10H11ClN2S
Molecular Weight:
226.7257
IUPAC Name:
2-(azetidin-3-yl)-1,3-benzothiazole;hydrochloride
InChI:
InChI=1S/C10H10N2S.ClH/c1-2-4-9-8(3-1)12-10(13-9)7-5-11-6-7;/h1-4,7,11H,5-6H2;1H
InChI Key:
GKLABRRWFPRIEW-UHFFFAOYSA-N
SMILES:
N1CC(C1)c1nc2c(s1)cccc2.Cl

Properties

Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.033g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
226.722g/mol
Monoisotopic Mass:
226.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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