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19945-37-0 | Benzo[b]thiophen-7(4H)-one, 2-chloro-5,6-dihydro-
CAS No: 19945-37-0 Catalog No: AG002C4B MDL No:
Product Description
Catalog Number:
AG002C4B
Chemical Name:
Benzo[b]thiophen-7(4H)-one, 2-chloro-5,6-dihydro-
CAS Number:
19945-37-0
Molecular Formula:
C8H7ClOS
Molecular Weight:
186.6586
IUPAC Name:
2-chloro-5,6-dihydro-4H-1-benzothiophen-7-one
InChI:
InChI=1S/C8H7ClOS/c9-7-4-5-2-1-3-6(10)8(5)11-7/h4H,1-3H2
InChI Key:
HKGSMAJXWGOORV-UHFFFAOYSA-N
SMILES:
Clc1cc2c(s1)C(=O)CCC2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.991g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.653g/mol
Monoisotopic Mass:
185.991g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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