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709038-33-5 | Benzothiazole, 2-(butoxymethyl)- (5CI)
CAS No: 709038-33-5 Catalog No: AG00FXIM MDL No:
Product Description
Catalog Number:
AG00FXIM
Chemical Name:
Benzothiazole, 2-(butoxymethyl)- (5CI)
CAS Number:
709038-33-5
IUPAC Name:
2-(butoxymethyl)-1,3-benzothiazole
InChI:
InChI=1S/C12H15NOS/c1-2-3-8-14-9-12-13-10-6-4-5-7-11(10)15-12/h4-7H,2-3,8-9H2,1H3
InChI Key:
HPHMUJALPCDUFL-UHFFFAOYSA-N
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.087g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.318g/mol
Monoisotopic Mass:
221.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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