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449756-83-6 | Benzothiazole, 2-methyl-5-(oxiranylmethoxy)- (9CI)
CAS No: 449756-83-6 Catalog No: AG00DO91 MDL No:
Product Description
Catalog Number:
AG00DO91
Chemical Name:
Benzothiazole, 2-methyl-5-(oxiranylmethoxy)- (9CI)
CAS Number:
449756-83-6
IUPAC Name:
2-methyl-5-(oxiran-2-ylmethoxy)-1,3-benzothiazole
InChI:
InChI=1S/C11H11NO2S/c1-7-12-10-4-8(2-3-11(10)15-7)13-5-9-6-14-9/h2-4,9H,5-6H2,1H3
InChI Key:
YSPRCDGVFRVBED-UHFFFAOYSA-N
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.274g/mol
Monoisotopic Mass:
221.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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