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88689-75-2 | Benzo[b]thiophene, 5-chloro-2-(trichloromethyl)-
CAS No: 88689-75-2 Catalog No: AG00478G MDL No:
Product Description
Catalog Number:
AG00478G
Chemical Name:
Benzo[b]thiophene, 5-chloro-2-(trichloromethyl)-
CAS Number:
88689-75-2
Molecular Formula:
C9H4Cl4S
Molecular Weight:
286.0051
IUPAC Name:
5-chloro-2-(trichloromethyl)-1-benzothiophene
InChI:
InChI=1S/C9H4Cl4S/c10-6-1-2-7-5(3-6)4-8(14-7)9(11,12)13/h1-4H
InChI Key:
BTIAYUNEQVWUCP-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)cc(s2)C(Cl)(Cl)Cl
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.876g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.991g/mol
Monoisotopic Mass:
283.879g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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