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17626-87-8

17626-87-8 | Benzothiazole, 2-(1-methylpropyl)- (9CI)

CAS No: 17626-87-8 Catalog No: AG00AUYP MDL No:

Product Description

Catalog Number:
AG00AUYP
Chemical Name:
Benzothiazole, 2-(1-methylpropyl)- (9CI)
CAS Number:
17626-87-8
IUPAC Name:
2-butan-2-yl-1,3-benzothiazole
InChI:
InChI=1S/C11H13NS/c1-3-8(2)11-12-9-6-4-5-7-10(9)13-11/h4-8H,3H2,1-2H3
InChI Key:
ZTINYSSZVASPQX-UHFFFAOYSA-N

Properties

Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.077g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.292g/mol
Monoisotopic Mass:
191.077g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

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