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6269-44-9 | 2-Butanone,3-(2-benzothiazolyl)-(9CI)
CAS No: 6269-44-9 Catalog No: AG00ER17 MDL No:MFCD18287902
Product Description
Catalog Number:
AG00ER17
Chemical Name:
2-Butanone,3-(2-benzothiazolyl)-(9CI)
CAS Number:
6269-44-9
Molecular Formula:
C11H11NOS
Molecular Weight:
205.2761
MDL Number:
MFCD18287902
IUPAC Name:
3-(1,3-benzothiazol-2-yl)butan-2-one
InChI:
InChI=1S/C11H11NOS/c1-7(8(2)13)11-12-9-5-3-4-6-10(9)14-11/h3-7H,1-2H3
InChI Key:
ZZDKCNNIPGACNK-UHFFFAOYSA-N
SMILES:
CC(=O)C(c1nc2c(s1)cccc2)C
NSC Number:
33751
Properties
Complexity:
231
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:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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