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2326-63-8 | Benzo[b]thiophene, 3-chloro-2-phenyl-
CAS No: 2326-63-8 Catalog No: AG002MPV MDL No:
Product Description
Catalog Number:
AG002MPV
Chemical Name:
Benzo[b]thiophene, 3-chloro-2-phenyl-
CAS Number:
2326-63-8
Molecular Formula:
C14H9ClS
Molecular Weight:
244.7393
IUPAC Name:
3-chloro-2-phenyl-1-benzothiophene
InChI:
InChI=1S/C14H9ClS/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
InChI Key:
CMJCKTXYMMDNCW-UHFFFAOYSA-N
SMILES:
Clc1c(sc2c1cccc2)c1ccccc1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.011g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.736g/mol
Monoisotopic Mass:
244.011g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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