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41881-84-9 | 1-Butanone,1-(2-benzothiazolyl)-(9CI)
CAS No: 41881-84-9 Catalog No: AG00CRN6 MDL No:
Product Description
Catalog Number:
AG00CRN6
Chemical Name:
1-Butanone,1-(2-benzothiazolyl)-(9CI)
CAS Number:
41881-84-9
IUPAC Name:
1-(1,3-benzothiazol-2-yl)butan-1-one
InChI:
InChI=1S/C11H11NOS/c1-2-5-9(13)11-12-8-6-3-4-7-10(8)14-11/h3-4,6-7H,2,5H2,1H3
InChI Key:
AZRWKQJNMVITAR-UHFFFAOYSA-N
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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