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207744-79-4 | Benzothiazole, 2-[(2R,3R)-3-methyloxiranyl]-, rel-(-)- (9CI)
CAS No: 207744-79-4 Catalog No: AG00BLU4 MDL No:
Product Description
Catalog Number:
AG00BLU4
Chemical Name:
Benzothiazole, 2-[(2R,3R)-3-methyloxiranyl]-, rel-(-)- (9CI)
CAS Number:
207744-79-4
IUPAC Name:
2-[(2R,3R)-3-methyloxiran-2-yl]-1,3-benzothiazole
InChI:
InChI=1S/C10H9NOS/c1-6-9(12-6)10-11-7-4-2-3-5-8(7)13-10/h2-6,9H,1H3/t6-,9-/m1/s1
InChI Key:
WZAUCJNGCNVXIP-HZGVNTEJSA-N
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
191.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.248g/mol
Monoisotopic Mass:
191.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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