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121801-77-2 | Benzo[b]thiophene, 2-[chloro(4-chlorophenyl)methyl]-
CAS No: 121801-77-2 Catalog No: AG00162U MDL No:
Product Description
Catalog Number:
AG00162U
Chemical Name:
Benzo[b]thiophene, 2-[chloro(4-chlorophenyl)methyl]-
CAS Number:
121801-77-2
Molecular Formula:
C15H10Cl2S
Molecular Weight:
293.2109
IUPAC Name:
2-[chloro-(4-chlorophenyl)methyl]-1-benzothiophene
InChI:
InChI=1S/C15H10Cl2S/c16-12-7-5-10(6-8-12)15(17)14-9-11-3-1-2-4-13(11)18-14/h1-9,15H
InChI Key:
YHOMYKCYNFZMJQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(c1cc2c(s1)cccc2)Cl
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.988g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.205g/mol
Monoisotopic Mass:
291.988g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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