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207744-91-0 | Benzothiazole, 2-[(2R,3R)-2,3-dimethyloxiranyl]-, rel-(-)- (9CI)
CAS No: 207744-91-0 Catalog No: AG00BLN9 MDL No:
Product Description
Catalog Number:
AG00BLN9
Chemical Name:
Benzothiazole, 2-[(2R,3R)-2,3-dimethyloxiranyl]-, rel-(-)- (9CI)
CAS Number:
207744-91-0
IUPAC Name:
2-[(2R,3R)-2,3-dimethyloxiran-2-yl]-1,3-benzothiazole
InChI:
InChI=1S/C11H11NOS/c1-7-11(2,13-7)10-12-8-5-3-4-6-9(8)14-10/h3-7H,1-2H3/t7-,11-/m1/s1
InChI Key:
NEIUFHPQLLUWRQ-RDDDGLTNSA-N
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
205.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.275g/mol
Monoisotopic Mass:
205.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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