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140918-60-1 | Thiophene, 2-[2-(4-chlorophenyl)ethynyl]-
CAS No: 140918-60-1 Catalog No: AG001FN5 MDL No:MFCD28453399
Product Description
Catalog Number:
AG001FN5
Chemical Name:
Thiophene, 2-[2-(4-chlorophenyl)ethynyl]-
CAS Number:
140918-60-1
Molecular Formula:
C12H7ClS
Molecular Weight:
218.7020
MDL Number:
MFCD28453399
IUPAC Name:
2-[2-(4-chlorophenyl)ethynyl]thiophene
InChI:
InChI=1S/C12H7ClS/c13-11-6-3-10(4-7-11)5-8-12-2-1-9-14-12/h1-4,6-7,9H
InChI Key:
OQZPFKXKFGJSNV-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C#Cc1cccs1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.996g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.698g/mol
Monoisotopic Mass:
217.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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