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33787-78-9 | Benzothiazole, 2-(1,4-dioxan-2-yl)- (9CI)
CAS No: 33787-78-9 Catalog No: AG00CPCF MDL No:
Product Description
Catalog Number:
AG00CPCF
Chemical Name:
Benzothiazole, 2-(1,4-dioxan-2-yl)- (9CI)
CAS Number:
33787-78-9
IUPAC Name:
2-(1,4-dioxan-2-yl)-1,3-benzothiazole
InChI:
InChI=1S/C11H11NO2S/c1-2-4-10-8(3-1)12-11(15-10)9-7-13-5-6-14-9/h1-4,9H,5-7H2
InChI Key:
NMBQSSCCGVRHSZ-UHFFFAOYSA-N
Properties
Complexity:
227
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:
1
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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