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56071-71-7 | 2-BENZOTHIAZOL-2-YL-1-PHENYL-ETHANONE
CAS No: 56071-71-7 Catalog No: AG00DIG6 MDL No:MFCD03988760
Product Description
Catalog Number:
AG00DIG6
Chemical Name:
2-BENZOTHIAZOL-2-YL-1-PHENYL-ETHANONE
CAS Number:
56071-71-7
Molecular Formula:
C15H11NOS
Molecular Weight:
253.3189
MDL Number:
MFCD03988760
IUPAC Name:
2-(1,3-benzothiazol-2-yl)-1-phenylethanone
InChI:
InChI=1S/C15H11NOS/c17-13(11-6-2-1-3-7-11)10-15-16-12-8-4-5-9-14(12)18-15/h1-9H,10H2
InChI Key:
WOBXNQIHAIRCIN-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Cc1nc2c(s1)cccc2
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.056g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.319g/mol
Monoisotopic Mass:
253.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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