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77946-51-1 | Benzo[b]thiophen-3(2H)-one, 2-[amino(2-chlorophenyl)methylene]-, (E)-
CAS No: 77946-51-1 Catalog No: AG0056I0 MDL No:
Product Description
Catalog Number:
AG0056I0
Chemical Name:
Benzo[b]thiophen-3(2H)-one, 2-[amino(2-chlorophenyl)methylene]-, (E)-
CAS Number:
77946-51-1
Molecular Formula:
C15H10ClNOS
Molecular Weight:
287.7640
IUPAC Name:
2-(2-chlorobenzenecarboximidoyl)-1-benzothiophen-3-ol
InChI:
InChI=1S/C15H10ClNOS/c16-11-7-3-1-5-9(11)13(17)15-14(18)10-6-2-4-8-12(10)19-15/h1-8,17-18H
InChI Key:
WMAPATSMUXISPJ-UHFFFAOYSA-N
SMILES:
Clc1ccccc1/C(=C/1\Sc2c(C1=O)cccc2)/N
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.017g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.761g/mol
Monoisotopic Mass:
287.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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