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915951-91-6 | Thiophene, 3,3'-(1,3-cyclopentadiene-1,2-diyl)bis[5-chloro-2-methyl-
CAS No: 915951-91-6 Catalog No: AG006FW5 MDL No:
Product Description
Catalog Number:
AG006FW5
Chemical Name:
Thiophene, 3,3'-(1,3-cyclopentadiene-1,2-diyl)bis[5-chloro-2-methyl-
CAS Number:
915951-91-6
Molecular Formula:
C15H12Cl2S2
Molecular Weight:
327.2918
IUPAC Name:
5-chloro-3-[2-(5-chloro-2-methylthiophen-3-yl)cyclopenta-1,3-dien-1-yl]-2-methylthiophene
InChI:
InChI=1S/C15H12Cl2S2/c1-8-12(6-14(16)18-8)10-4-3-5-11(10)13-7-15(17)19-9(13)2/h3-4,6-7H,5H2,1-2H3
InChI Key:
YSDOCOFYECLGNL-UHFFFAOYSA-N
SMILES:
Clc1cc(c(s1)C)C1=C(CC=C1)c1cc(sc1C)Cl
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.976g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.281g/mol
Monoisotopic Mass:
325.976g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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